N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide

C27H37N3O2 — CID 42696307

IUPACN-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-3-21(2)26(29-25(31)15-14-22-10-6-4-7-11-22)27(32)28-24-16-18-30(19-17-24)20-23-12-8-5-9-13-23/h4-13,21,24,26H,3,14-20H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyPTFXWNIKPRFEEN-UHFFFAOYSA-N
MW435.61 g/mol
LogP3.93
Rot. Bonds10

About N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide

N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide (PubChem CID 42696307) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
PubChem CID42696307
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-3-21(2)26(29-25(31)15-14-22-10-6-4-7-11-22)27(32)28-24-16-18-30(19-17-24)20-23-12-8-5-9-13-23/h4-13,21,24,26H,3,14-20H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyPTFXWNIKPRFEEN-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
methyl (2S,3R)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoate
CID 7529321
3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 42704009
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide (CID 42696307) is N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide is CCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide?
The InChIKey is PTFXWNIKPRFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-3-21(2)26(29-25(31)15-14-22-10-6-4-7-11-22)27(32)28-24-16-18-30(19-17-24)20-23-12-8-5-9-13-23/h4-13,21,24,26H,3,14-20H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide?
N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide has a molecular weight of 435.61 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide is sourced from PubChem (CID 42696307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).