[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

C21H26N4O3 — CID 87283728

IUPAC[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c22-19(15-25(13-14-26)21(27)28)17-8-11-24(12-9-17)20-18(7-4-10-23-20)16-5-2-1-3-6-16/h1-7,10,14,17,19H,8-9,11-13,15,22H2,(H,27,28)
InChIKeyKURKEONSGVPHMV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.47
Rot. Bonds7

About [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid

[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (PubChem CID 87283728) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
PubChem CID87283728
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
SMILESNC(CN(CC=O)C(=O)O)C1CCN(c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C21H26N4O3/c22-19(15-25(13-14-26)21(27)28)17-8-11-24(12-9-17)20-18(7-4-10-23-20)16-5-2-1-3-6-16/h1-7,10,14,17,19H,8-9,11-13,15,22H2,(H,27,28)
InChIKeyKURKEONSGVPHMV-UHFFFAOYSA-N
XLogP2.47
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-amino-2-(1-isoquinolin-3-ylpiperidin-4-yl)ethyl]-(2-oxoethyl)carbamic acid
CID 87284112
[2-amino-2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283969
[2-amino-2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283516
[2-(methylamino)-2-[1-(4-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid
CID 87283418
[2-(1-isoquinolin-3-ylpiperidin-4-yl)-2-(methylamino)ethyl]-(2-oxoethyl)carbamic acid
CID 87283756
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
ethyl 1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperidine-4-carboxylate
CID 53012010
[(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 58067642
(2-amino-2-oxoethyl)-[[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methyl]carbamic acid
CID 67136190
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 82250249
N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166127
propan-2-yl 2-[(3R)-3-[ethyl-[(2-pyridin-3-ylphenyl)methyl]amino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323173

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The IUPAC name of [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid (CID 87283728) is [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The canonical SMILES for [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is NC(CN(CC=O)C(=O)O)C1CCN(c2ncccc2-c2ccccc2)CC1.
What is the InChIKey of [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
The InChIKey is KURKEONSGVPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-19(15-25(13-14-26)21(27)28)17-8-11-24(12-9-17)20-18(7-4-10-23-20)16-5-2-1-3-6-16/h1-7,10,14,17,19H,8-9,11-13,15,22H2,(H,27,28).
What are the key properties of [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid?
[2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid has a molecular weight of 382.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-[1-(3-phenyl-2-pyridinyl)piperidin-4-yl]ethyl]-(2-oxoethyl)carbamic acid is sourced from PubChem (CID 87283728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).