N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide

C14H22N4O3 — CID 124907006

IUPACN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19)/t12-/m0/s1
InChIKeyOZSVTCKGEVBPGM-LBPRGKRZSA-N
MW294.35 g/mol
LogP-0.55
Rot. Bonds4

About N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide (PubChem CID 124907006) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
PubChem CID124907006
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19)/t12-/m0/s1
InChIKeyOZSVTCKGEVBPGM-LBPRGKRZSA-N
XLogP-0.55
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide
CID 91832966
3-[2-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906922
6-methyl-3-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 91836009
6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 91829573
3-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906909
3-[2-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 162636183
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
3-[2-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91830658
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-[2-[(3R)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124906842

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide (CID 124907006) is N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(CCn2c(=O)cc(C)[nH]c2=O)C1.
What is the InChIKey of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
The InChIKey is OZSVTCKGEVBPGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-8-13(20)18(14(21)15-10)7-6-17-5-3-4-12(9-17)16-11(2)19/h8,12H,3-7,9H2,1-2H3,(H,15,21)(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 124907006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).