N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

C22H31N3O3 — CID 56867909

IUPACN-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C22H31N3O3/c1-28-20-7-3-2-6-19(20)22(27)24-13-10-18(11-14-24)25-12-4-5-16(15-25)21(26)23-17-8-9-17/h2-3,6-7,16-18H,4-5,8-15H2,1H3,(H,23,26)
InChIKeyRKFSLXVLHXQIRA-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.29
Rot. Bonds5

About N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56867909) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56867909
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1
InChIInChI=1S/C22H31N3O3/c1-28-20-7-3-2-6-19(20)22(27)24-13-10-18(11-14-24)25-12-4-5-16(15-25)21(26)23-17-8-9-17/h2-3,6-7,16-18H,4-5,8-15H2,1H3,(H,23,26)
InChIKeyRKFSLXVLHXQIRA-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
N-cyclopropyl-1-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870281
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56867909) is N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is COc1ccccc1C(=O)N1CCC(N2CCCC(C(=O)NC3CC3)C2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RKFSLXVLHXQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-20-7-3-2-6-19(20)22(27)24-13-10-18(11-14-24)25-12-4-5-16(15-25)21(26)23-17-8-9-17/h2-3,6-7,16-18H,4-5,8-15H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56867909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).