1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide

C16H25N5O3 — CID 46995964

IUPAC1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCCN(CC(N)=O)C2)c(=O)n1
InChIInChI=1S/C16H25N5O3/c1-11-8-12(2)21(16(24)19-11)7-5-18-15(23)13-4-3-6-20(9-13)10-14(17)22/h8,13H,3-7,9-10H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyHZDBWOQBGLVJJJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.83
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 46995964) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID46995964
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCCN(CC(N)=O)C2)c(=O)n1
InChIInChI=1S/C16H25N5O3/c1-11-8-12(2)21(16(24)19-11)7-5-18-15(23)13-4-3-6-20(9-13)10-14(17)22/h8,13H,3-7,9-10H2,1-2H3,(H2,17,22)(H,18,23)
InChIKeyHZDBWOQBGLVJJJ-UHFFFAOYSA-N
XLogP-0.83
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(1S)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 124754580
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-azabicyclo[2.2.2]octane-2-carboxamide
CID 138807911
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 122564752
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887087
1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72892403
1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
CID 131907538
(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
CID 97139794
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide (CID 46995964) is 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCCN(CC(N)=O)C2)c(=O)n1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is HZDBWOQBGLVJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-8-12(2)21(16(24)19-11)7-5-18-15(23)13-4-3-6-20(9-13)10-14(17)22/h8,13H,3-7,9-10H2,1-2H3,(H2,17,22)(H,18,23).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46995964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).