3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide

C17H28N4O3 — CID 94798908

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](C)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24)/t12-/m0/s1
InChIKeyYXIHVZMWEYJHCA-LBPRGKRZSA-N
MW336.44 g/mol
LogP0.54
Rot. Bonds6

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 94798908) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID94798908
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](C)N1CCC(C)CC1
InChIInChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24)/t12-/m0/s1
InChIKeyYXIHVZMWEYJHCA-LBPRGKRZSA-N
XLogP0.54
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 42930049
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110620712
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
CID 119866531
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 52507353
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 51095665
4-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)propyl]-4-oxobutanamide
CID 110620731
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 94637332
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 93235652
6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 47066108
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 94811013

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide (CID 94798908) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC[C@H](C)N1CCC(C)CC1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is YXIHVZMWEYJHCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11-6-8-21(9-7-11)12(2)10-18-15(22)5-4-14-13(3)19-17(24)20-16(14)23/h11-12H,4-10H2,1-3H3,(H,18,22)(H2,19,20,23,24)/t12-/m0/s1.
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 94798908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).