(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide

C14H21N5O4 — CID 97139794

IUPAC(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N5O4/c15-11(20)8-19-5-1-2-10(7-19)12(21)16-4-3-9-6-17-14(23)18-13(9)22/h6,10H,1-5,7-8H2,(H2,15,20)(H,16,21)(H2,17,18,22,23)/t10-/m0/s1
InChIKeyWUFZJRHTMMMIDJ-JTQLQIEISA-N
MW323.35 g/mol
LogP-2.08
Rot. Bonds6

About (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 97139794) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID97139794
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H21N5O4/c15-11(20)8-19-5-1-2-10(7-19)12(21)16-4-3-9-6-17-14(23)18-13(9)22/h6,10H,1-5,7-8H2,(H2,15,20)(H,16,21)(H2,17,18,22,23)/t10-/m0/s1
InChIKeyWUFZJRHTMMMIDJ-JTQLQIEISA-N
XLogP-2.08
TPSA141.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143169
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide
CID 125162554
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
CID 95214360
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
CID 131907538
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46995964
(3S)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 124907126
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
5-[[(3S)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95221204

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide (CID 97139794) is (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide is NC(=O)CN1CCC[C@H](C(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WUFZJRHTMMMIDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O4/c15-11(20)8-19-5-1-2-10(7-19)12(21)16-4-3-9-6-17-14(23)18-13(9)22/h6,10H,1-5,7-8H2,(H2,15,20)(H,16,21)(H2,17,18,22,23)/t10-/m0/s1.
What are the key properties of (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97139794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).