3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide

C18H25N5O — CID 119871215

IUPAC3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(CC(=O)Nc1cnn(Cc2ccncc2)c1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-4-8-20-9-5-16)10-18(24)22-17-11-21-23(13-17)12-15-2-6-19-7-3-15/h2-3,6-7,11,13-14,16,20H,4-5,8-10,12H2,1H3,(H,22,24)
InChIKeyYFHTZUDZAXPNDU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.29
Rot. Bonds6

About 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide

3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 119871215) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID119871215
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
SMILESCC(CC(=O)Nc1cnn(Cc2ccncc2)c1)C1CCNCC1
InChIInChI=1S/C18H25N5O/c1-14(16-4-8-20-9-5-16)10-18(24)22-17-11-21-23(13-17)12-15-2-6-19-7-3-15/h2-3,6-7,11,13-14,16,20H,4-5,8-10,12H2,1H3,(H,22,24)
InChIKeyYFHTZUDZAXPNDU-UHFFFAOYSA-N
XLogP2.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 119843495
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728726
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
CID 119848540
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide (CID 119871215) is 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide is CC(CC(=O)Nc1cnn(Cc2ccncc2)c1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is YFHTZUDZAXPNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(16-4-8-20-9-5-16)10-18(24)22-17-11-21-23(13-17)12-15-2-6-19-7-3-15/h2-3,6-7,11,13-14,16,20H,4-5,8-10,12H2,1H3,(H,22,24).
What are the key properties of 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide?
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 119871215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).