N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide

C20H28N4O — CID 45198986

IUPACN-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H28N4O/c25-20(11-16-24-15-6-12-21-24)22-19-10-5-14-23(17-19)13-4-9-18-7-2-1-3-8-18/h1-3,6-8,12,15,19H,4-5,9-11,13-14,16-17H2,(H,22,25)
InChIKeyCBBZRCVUGRPZIA-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.49
Rot. Bonds8

About N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 45198986) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID45198986
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C20H28N4O/c25-20(11-16-24-15-6-12-21-24)22-19-10-5-14-23(17-19)13-4-9-18-7-2-1-3-8-18/h1-3,6-8,12,15,19H,4-5,9-11,13-14,16-17H2,(H,22,25)
InChIKeyCBBZRCVUGRPZIA-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-pyrazol-1-ylbutanamide
CID 125178153
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 45198986) is N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is CBBZRCVUGRPZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c25-20(11-16-24-15-6-12-21-24)22-19-10-5-14-23(17-19)13-4-9-18-7-2-1-3-8-18/h1-3,6-8,12,15,19H,4-5,9-11,13-14,16-17H2,(H,22,25).
What are the key properties of N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 45198986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).