(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

C22H29N3O — CID 124822087

IUPAC(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCN1CCC(N(Cc2cccnc2)C(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)CC1
InChIInChI=1S/C22H29N3O/c1-24-11-6-18(7-12-24)25(15-16-3-2-10-23-14-16)21(26)19-13-17-4-5-20(19)22(17)8-9-22/h2-5,10,14,17-20H,6-9,11-13,15H2,1H3/t17-,19+,20-/m1/s1
InChIKeyZPVAGSIHRMFVGI-YZGWKJHDSA-N
MW351.49 g/mol
LogP3.11
Rot. Bonds4

About (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide

(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (PubChem CID 124822087) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
PubChem CID124822087
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
SMILESCN1CCC(N(Cc2cccnc2)C(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)CC1
InChIInChI=1S/C22H29N3O/c1-24-11-6-18(7-12-24)25(15-16-3-2-10-23-14-16)21(26)19-13-17-4-5-20(19)22(17)8-9-22/h2-5,10,14,17-20H,6-9,11-13,15H2,1H3/t17-,19+,20-/m1/s1
InChIKeyZPVAGSIHRMFVGI-YZGWKJHDSA-N
XLogP3.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide with MolForge

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Related Compounds

4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 56887485
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957416
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 56896410
[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethanone
CID 46972526
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide (CID 124822087) is (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is CN1CCC(N(Cc2cccnc2)C(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)CC1.
What is the InChIKey of (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
The InChIKey is ZPVAGSIHRMFVGI-YZGWKJHDSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24-11-6-18(7-12-24)25(15-16-3-2-10-23-14-16)21(26)19-13-17-4-5-20(19)22(17)8-9-22/h2-5,10,14,17-20H,6-9,11-13,15H2,1H3/t17-,19+,20-/m1/s1.
What are the key properties of (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide?
(1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 124822087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).