(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide

C17H21N5O3 — CID 138572240

IUPAC(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)n1ccnc1
InChIInChI=1S/C17H21N5O3/c18-16(23)15-7-6-14(20-25-11-13-4-2-1-3-5-13)10-22(15)17(24)21-9-8-19-12-21/h1-5,8-9,12,14-15,20H,6-7,10-11H2,(H2,18,23)/t14-,15+/m1/s1
InChIKeyPIODHSUUFBGSDU-CABCVRRESA-N
MW343.39 g/mol
LogP0.89
Rot. Bonds5

About (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide

(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide (PubChem CID 138572240) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide
PubChem CID138572240
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)n1ccnc1
InChIInChI=1S/C17H21N5O3/c18-16(23)15-7-6-14(20-25-11-13-4-2-1-3-5-13)10-22(15)17(24)21-9-8-19-12-21/h1-5,8-9,12,14-15,20H,6-7,10-11H2,(H2,18,23)/t14-,15+/m1/s1
InChIKeyPIODHSUUFBGSDU-CABCVRRESA-N
XLogP0.89
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(phenylmethoxyamino)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid
CID 87217278
(2S,5R)-5-(phenylmethoxyamino)-N-propoxy-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 118084573
tert-butyl 5-(phenylmethoxyamino)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
CID 76534508
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
2-trimethylsilylethyl (2S,5R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxycarbamoyl]-5-(phenylmethoxyamino)piperidine-1-carboxylate
CID 131733976
benzyl N-[(1S)-1-amino-3-imidazol-1-yl-3-oxopropyl]carbamate
CID 167081038
(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2-phenylmethoxyphenyl)methoxyamino]piperidine-2-carboxylic acid
CID 122436930
(5R,7aR)-5-(phenylmethoxyamino)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;(2S,5R)-5-[imidazole-1-carbonyl(phenylmethoxy)amino]piperidine-2-carboxamide;(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;trans-(1R,4R)-2-(imidazole-1-carbonyl)-4-(phenylmethoxyamino)cyclohexane-1-carboxamide
CID 158496942
1-O-tert-butyl 2-O-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] (2S,5R)-5-(phenylmethoxyamino)piperidine-1,2-dicarboxylate
CID 131749608
(2R,5S)-2-(hydrazinecarbonyl)-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 155234319
tert-butyl N-[2-[[(2S,5R)-1-methyl-5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]oxyethyl]carbamate
CID 118084529
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide?
The IUPAC name of (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide (CID 138572240) is (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide?
The canonical SMILES for (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide is NC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(=O)n1ccnc1.
What is the InChIKey of (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide?
The InChIKey is PIODHSUUFBGSDU-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N5O3/c18-16(23)15-7-6-14(20-25-11-13-4-2-1-3-5-13)10-22(15)17(24)21-9-8-19-12-21/h1-5,8-9,12,14-15,20H,6-7,10-11H2,(H2,18,23)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide?
(2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-(imidazole-1-carbonyl)-5-(phenylmethoxyamino)piperidine-2-carboxamide is sourced from PubChem (CID 138572240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).