4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide

C26H28N4O3 — CID 55502373

IUPAC4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O3/c31-24(17-20-9-6-8-19-7-4-5-12-23(19)20)27-18-25(32)28-22-13-15-30(16-14-22)26(33)29-21-10-2-1-3-11-21/h1-12,22H,13-18H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyHLKDGXXMSBLEAW-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.31
Rot. Bonds6

About 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 55502373) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID55502373
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O3/c31-24(17-20-9-6-8-19-7-4-5-12-23(19)20)27-18-25(32)28-22-13-15-30(16-14-22)26(33)29-21-10-2-1-3-11-21/h1-12,22H,13-18H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyHLKDGXXMSBLEAW-UHFFFAOYSA-N
XLogP3.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119457551
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
CID 119700221
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide (CID 55502373) is 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide is O=C(Cc1cccc2ccccc12)NCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HLKDGXXMSBLEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-24(17-20-9-6-8-19-7-4-5-12-23(19)20)27-18-25(32)28-22-13-15-30(16-14-22)26(33)29-21-10-2-1-3-11-21/h1-12,22H,13-18H2,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 55502373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).