N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide

C26H27N3O3 — CID 18734987

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H27N3O3/c27-24(30)23(16-18-6-2-1-3-7-18)28-25(31)20-12-14-29(15-13-20)26(32)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,30)(H,28,31)
InChIKeyQPHCEMHVHXPNQX-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.90
Rot. Bonds6

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 18734987) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
PubChem CID18734987
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H27N3O3/c27-24(30)23(16-18-6-2-1-3-7-18)28-25(31)20-12-14-29(15-13-20)26(32)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,30)(H,28,31)
InChIKeyQPHCEMHVHXPNQX-UHFFFAOYSA-N
XLogP2.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-benzoylpiperidine-4-carboxamide
CID 11685697
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947
tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 48735739
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide
CID 156607431
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 69182090
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18734983
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
N-(3-aminonaphthalen-1-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide
CID 59850978
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide (CID 18734987) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is QPHCEMHVHXPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-24(30)23(16-18-6-2-1-3-7-18)28-25(31)20-12-14-29(15-13-20)26(32)22-11-10-19-8-4-5-9-21(19)17-22/h1-11,17,20,23H,12-16H2,(H2,27,30)(H,28,31).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(naphthalene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 18734987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).