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

C22H30N4O — CID 95805982

IUPACN,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C22H30N4O/c1-17-19(22(27)25(2)3)16-23-21(24-17)20-13-7-8-14-26(20)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,20H,7-9,12-15H2,1-3H3/t20-/m1/s1
InChIKeyMGCSYJOCOOWMOB-HXUWFJFHSA-N
MW366.51 g/mol
LogP3.65
Rot. Bonds6

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

N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 95805982) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID95805982
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N(C)C
InChIInChI=1S/C22H30N4O/c1-17-19(22(27)25(2)3)16-23-21(24-17)20-13-7-8-14-26(20)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,20H,7-9,12-15H2,1-3H3/t20-/m1/s1
InChIKeyMGCSYJOCOOWMOB-HXUWFJFHSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[(2S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636783
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92636450
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 95805982) is N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2CCCc2ccccc2)ncc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is MGCSYJOCOOWMOB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-19(22(27)25(2)3)16-23-21(24-17)20-13-7-8-14-26(20)15-9-12-18-10-5-4-6-11-18/h4-6,10-11,16,20H,7-9,12-15H2,1-3H3/t20-/m1/s1.
What are the key properties of N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.65, 6 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-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95805982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).