N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide

C21H28N4O2 — CID 95725795

IUPACN,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-16-22-14-19(20(26)23-16)21(27)24(2)18-11-7-13-25(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,22,23,26)/t18-/m1/s1
InChIKeyKQFCRTQXVMHVPW-GOSISDBHSA-N
MW368.48 g/mol
LogP2.25
Rot. Bonds6

About N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide

N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 95725795) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
PubChem CID95725795
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C21H28N4O2/c1-16-22-14-19(20(26)23-16)21(27)24(2)18-11-7-13-25(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,22,23,26)/t18-/m1/s1
InChIKeyKQFCRTQXVMHVPW-GOSISDBHSA-N
XLogP2.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide (CID 95725795) is N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is KQFCRTQXVMHVPW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-22-14-19(20(26)23-16)21(27)24(2)18-11-7-13-25(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H,22,23,26)/t18-/m1/s1.
What are the key properties of N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95725795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).