N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide

C16H26N4O2 — CID 136556076

IUPACN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(=O)[nH]cn2)C(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-6-4-12(3)5-7-20)9-17-16(22)13-8-15(21)19-10-18-13/h8,10-12,14H,4-7,9H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyNCUIDOKIUNVQSD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds5

About N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136556076) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136556076
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(=O)[nH]cn2)C(C)C)CC1
InChIInChI=1S/C16H26N4O2/c1-11(2)14(20-6-4-12(3)5-7-20)9-17-16(22)13-8-15(21)19-10-18-13/h8,10-12,14H,4-7,9H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyNCUIDOKIUNVQSD-UHFFFAOYSA-N
XLogP1.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 166390904
N-butyl-2-(4-methylpiperidino)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053805
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 135906347
1-cyclohexyl-N-[(6-hydroxy-4-pyrimidinyl)methyl]-4-piperidinecarboxamide
CID 136233471
(6Z)-1-ethenyl-6-ethylidene-N-(1-ethylpiperidin-3-yl)pyrimidine-4-carboxamide
CID 142276081
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
1-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535013
N-[2-(Dimethylamino)ethyl]-2-(4-methylpiperidin-1-YL)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-5-carboxamide
CID 53053779
N-isopropyl-2-(4-methylpiperidino)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053786

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136556076) is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide is CC1CCN(C(CNC(=O)c2cc(=O)[nH]cn2)C(C)C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is NCUIDOKIUNVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)14(20-6-4-12(3)5-7-20)9-17-16(22)13-8-15(21)19-10-18-13/h8,10-12,14H,4-7,9H2,1-3H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136556076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).