2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

C22H30N4O2 — CID 136917886

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H30N4O2/c1-16-20(22(28)24-17(2)23-16)14-21(27)25-19-11-7-13-26(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,19H,6-7,10-15H2,1-2H3,(H,25,27)(H,23,24,28)/t19-/m0/s1
InChIKeyQCDWABCRSBQUBB-IBGZPJMESA-N
MW382.51 g/mol
LogP2.14
Rot. Bonds7

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (PubChem CID 136917886) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
PubChem CID136917886
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H30N4O2/c1-16-20(22(28)24-17(2)23-16)14-21(27)25-19-11-7-13-26(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,19H,6-7,10-15H2,1-2H3,(H,25,27)(H,23,24,28)/t19-/m0/s1
InChIKeyQCDWABCRSBQUBB-IBGZPJMESA-N
XLogP2.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 25491989
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95722570
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 45198986
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42453249
N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 45233013

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide (CID 136917886) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is Cc1nc(C)c(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
The InChIKey is QCDWABCRSBQUBB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-20(22(28)24-17(2)23-16)14-21(27)25-19-11-7-13-26(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,19H,6-7,10-15H2,1-2H3,(H,25,27)(H,23,24,28)/t19-/m0/s1.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 136917886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).