N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

C20H26N4O3 — CID 53107375

IUPACN-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCc3ccccc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-3-24-17(12-18(25)22(2)20(24)27)23-11-7-10-16(14-23)19(26)21-13-15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyWHVDAHOYTPTSIG-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.10
Rot. Bonds5

About N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide

N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53107375) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53107375
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCc3ccccc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-3-24-17(12-18(25)22(2)20(24)27)23-11-7-10-16(14-23)19(26)21-13-15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyWHVDAHOYTPTSIG-UHFFFAOYSA-N
XLogP1.10
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Mavacamten
CID 117761397
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
3-(6-Amino-1-benzyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile
CID 2437302
6-Amino-1-benzyluracil
CID 250746
N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)benzamide
CID 8070201
N-[(1S)-3-[4-[benzylcarbamoyl(ethyl)amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590750
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
6-[(3R)-3-aminopiperidin-1-yl]-3-benzyl-1-but-2-ynylpyrimidine-2,4-dione
CID 71731241
N-benzyl-3-hydroxy-2,4-dioxo-6-(propylamino)-1H-pyrimidine-5-carboxamide
CID 129906770
N-benzyl-6-(tert-butylamino)-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906948
N-[(4-fluorophenyl)methyl]-7-hydroxy-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carboxamide
CID 129906986

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide (CID 53107375) is N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is CCn1c(N2CCCC(C(=O)NCc3ccccc3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is WHVDAHOYTPTSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-24-17(12-18(25)22(2)20(24)27)23-11-7-10-16(14-23)19(26)21-13-15-8-5-4-6-9-15/h4-6,8-9,12,16H,3,7,10-11,13-14H2,1-2H3,(H,21,26).
What are the key properties of N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide?
N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53107375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).