N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

C29H35N3O2 — CID 17471908

IUPACN-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H35N3O2/c1-21(2)28(31-27(33)19-24-13-8-12-23-11-6-7-14-26(23)24)29(34)30-25-15-17-32(18-16-25)20-22-9-4-3-5-10-22/h3-14,21,25,28H,15-20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyKQHVFCRFFFKEKW-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.30
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (PubChem CID 17471908) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
PubChem CID17471908
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H35N3O2/c1-21(2)28(31-27(33)19-24-13-8-12-23-11-6-7-14-26(23)24)29(34)30-25-15-17-32(18-16-25)20-22-9-4-3-5-10-22/h3-14,21,25,28H,15-20H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyKQHVFCRFFFKEKW-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 42696307
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide
CID 167756872
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (CID 17471908) is N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1cccc2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The InChIKey is KQHVFCRFFFKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-21(2)28(31-27(33)19-24-13-8-12-23-11-6-7-14-26(23)24)29(34)30-25-15-17-32(18-16-25)20-22-9-4-3-5-10-22/h3-14,21,25,28H,15-20H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide has a molecular weight of 457.62 g/mol, XLogP of 4.30, 8 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-[(2-naphthalen-1-ylacetyl)amino]butanamide is sourced from PubChem (CID 17471908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).