N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C12H19N5O2 — CID 136978009

IUPACN-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H19N5O2/c13-3-4-14-12(19)9-2-1-5-17(7-9)10-6-11(18)16-8-15-10/h6,8-9H,1-5,7,13H2,(H,14,19)(H,15,16,18)
InChIKeyZKAVFTJKZWNPDP-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.94
Rot. Bonds4

About N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136978009) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136978009
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H19N5O2/c13-3-4-14-12(19)9-2-1-5-17(7-9)10-6-11(18)16-8-15-10/h6,8-9H,1-5,7,13H2,(H,14,19)(H,15,16,18)
InChIKeyZKAVFTJKZWNPDP-UHFFFAOYSA-N
XLogP-0.94
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648253
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
1-ethyl-3-methyl-N-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135859855
(3R)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889771
(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889772
2-amino-6-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136217079
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-1-isopropyl-3-piperidinecarboxamide
CID 136249179
2-[3-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 136252931
4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136568221
N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-1-methylpiperidine-3-carboxamide
CID 136662234

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136978009) is N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZKAVFTJKZWNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-3-4-14-12(19)9-2-1-5-17(7-9)10-6-11(18)16-8-15-10/h6,8-9H,1-5,7,13H2,(H,14,19)(H,15,16,18).
What are the key properties of N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136978009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).