N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

C18H25N5O — CID 25378372

IUPACN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c24-18(9-12-23-15-19-14-20-23)21-17-7-4-10-22(13-17)11-8-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m0/s1
InChIKeyPKKVNSOGUPRDQD-KRWDZBQOSA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds7

About N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 25378372) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID25378372
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C18H25N5O/c24-18(9-12-23-15-19-14-20-23)21-17-7-4-10-22(13-17)11-8-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m0/s1
InChIKeyPKKVNSOGUPRDQD-KRWDZBQOSA-N
XLogP1.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide (CID 25378372) is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N[C@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is PKKVNSOGUPRDQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18(9-12-23-15-19-14-20-23)21-17-7-4-10-22(13-17)11-8-16-5-2-1-3-6-16/h1-3,5-6,14-15,17H,4,7-13H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 25378372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).