(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide

C18H27N5O4 — CID 174859503

IUPAC(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)NOCc2ccccc2)CC1)[C@H]1CN[C@@H](O)CN1
InChIInChI=1S/C18H27N5O4/c24-16-11-19-15(10-20-16)17(25)21-14-6-8-23(9-7-14)18(26)22-27-12-13-4-2-1-3-5-13/h1-5,14-16,19-20,24H,6-12H2,(H,21,25)(H,22,26)/t15-,16+/m1/s1
InChIKeyAKLTXSIMNYVBAD-CVEARBPZSA-N
MW377.45 g/mol
LogP-0.71
Rot. Bonds5

About (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide

(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide (PubChem CID 174859503) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide
PubChem CID174859503
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)NOCc2ccccc2)CC1)[C@H]1CN[C@@H](O)CN1
InChIInChI=1S/C18H27N5O4/c24-16-11-19-15(10-20-16)17(25)21-14-6-8-23(9-7-14)18(26)22-27-12-13-4-2-1-3-5-13/h1-5,14-16,19-20,24H,6-12H2,(H,21,25)(H,22,26)/t15-,16+/m1/s1
InChIKeyAKLTXSIMNYVBAD-CVEARBPZSA-N
XLogP-0.71
TPSA114.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 123544484
N-phenylmethoxyazepane-1-carboxamide
CID 112689523
3-hydroxy-N-phenylmethoxypiperidine-1-carboxamide
CID 110933496
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
benzyl 4-(cyclopentylcarbamoyl)-1,4-diazepane-1-carboxylate
CID 110811707

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide?
The IUPAC name of (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide (CID 174859503) is (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide is O=C(NC1CCN(C(=O)NOCc2ccccc2)CC1)[C@H]1CN[C@@H](O)CN1.
What is the InChIKey of (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide?
The InChIKey is AKLTXSIMNYVBAD-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27N5O4/c24-16-11-19-15(10-20-16)17(25)21-14-6-8-23(9-7-14)18(26)22-27-12-13-4-2-1-3-5-13/h1-5,14-16,19-20,24H,6-12H2,(H,21,25)(H,22,26)/t15-,16+/m1/s1.
What are the key properties of (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide?
(2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of -0.71, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-hydroxy-N-[1-(phenylmethoxycarbamoyl)piperidin-4-yl]piperazine-2-carboxamide is sourced from PubChem (CID 174859503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).