N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

C22H28N4O2 — CID 110247791

IUPACN,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C22H28N4O2/c1-16-18(22(28)25(2)3)15-23-21(24-16)19-11-7-8-14-26(19)20(27)13-12-17-9-5-4-6-10-17/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3
InChIKeyWJDGFUIHJWPKHB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.17
Rot. Bonds5

About N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247791) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247791
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C22H28N4O2/c1-16-18(22(28)25(2)3)15-23-21(24-16)19-11-7-8-14-26(19)20(27)13-12-17-9-5-4-6-10-17/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3
InChIKeyWJDGFUIHJWPKHB-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95805982
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 110247791) is N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is WJDGFUIHJWPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-18(22(28)25(2)3)15-23-21(24-16)19-11-7-8-14-26(19)20(27)13-12-17-9-5-4-6-10-17/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).