N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

C24H29N5O — CID 14330518

IUPACN-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C24H29N5O/c1-2-23(30)29(21-9-4-3-5-10-21)24(22-11-6-7-14-25-22)12-17-27(18-13-24)19-20-28-16-8-15-26-28/h3-11,14-16H,2,12-13,17-20H2,1H3
InChIKeyKVXYDTDONLDIAL-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.71
Rot. Bonds7

About N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide

N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (PubChem CID 14330518) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
PubChem CID14330518
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C24H29N5O/c1-2-23(30)29(21-9-4-3-5-10-21)24(22-11-6-7-14-25-22)12-17-27(18-13-24)19-20-28-16-8-15-26-28/h3-11,14-16H,2,12-13,17-20H2,1H3
InChIKeyKVXYDTDONLDIAL-UHFFFAOYSA-N
XLogP3.71
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide (CID 14330518) is N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
The InChIKey is KVXYDTDONLDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-23(30)29(21-9-4-3-5-10-21)24(22-11-6-7-14-25-22)12-17-27(18-13-24)19-20-28-16-8-15-26-28/h3-11,14-16H,2,12-13,17-20H2,1H3.
What are the key properties of N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide?
N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide has a molecular weight of 403.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-pyrazol-1-ylethyl)-4-pyridin-2-ylpiperidin-4-yl]propanamide is sourced from PubChem (CID 14330518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).