4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide

C19H27N5O — CID 122565648

IUPAC4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(CCn2cccn2)CC1)c1cccnc1
InChIInChI=1S/C19H27N5O/c1-2-18(17-5-3-9-20-15-17)22-19(25)23-12-6-16(7-13-23)8-14-24-11-4-10-21-24/h3-5,9-11,15-16,18H,2,6-8,12-14H2,1H3,(H,22,25)
InChIKeyOOAXPCKXNGQAID-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.24
Rot. Bonds6

About 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide

4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide (PubChem CID 122565648) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
PubChem CID122565648
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(CCn2cccn2)CC1)c1cccnc1
InChIInChI=1S/C19H27N5O/c1-2-18(17-5-3-9-20-15-17)22-19(25)23-12-6-16(7-13-23)8-14-24-11-4-10-21-24/h3-5,9-11,15-16,18H,2,6-8,12-14H2,1H3,(H,22,25)
InChIKeyOOAXPCKXNGQAID-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrazol-1-ylethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 118792608
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide
CID 122561037
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 91775854
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
4-(3-hydroxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidine-1-carboxamide
CID 122557396
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 118789478
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide (CID 122565648) is 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide is CCC(NC(=O)N1CCC(CCn2cccn2)CC1)c1cccnc1.
What is the InChIKey of 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide?
The InChIKey is OOAXPCKXNGQAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-18(17-5-3-9-20-15-17)22-19(25)23-12-6-16(7-13-23)8-14-24-11-4-10-21-24/h3-5,9-11,15-16,18H,2,6-8,12-14H2,1H3,(H,22,25).
What are the key properties of 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide?
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 122565648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).