N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide

C21H27FN4O — CID 72847651

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C21H27FN4O/c1-16-23-13-19(14-24-16)21(27)25(2)15-18-7-10-26(11-8-18)9-6-17-4-3-5-20(22)12-17/h3-5,12-14,18H,6-11,15H2,1-2H3
InChIKeySVYOWNATZRGYQE-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.95
Rot. Bonds6

About N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide (PubChem CID 72847651) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
PubChem CID72847651
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C21H27FN4O/c1-16-23-13-19(14-24-16)21(27)25(2)15-18-7-10-26(11-8-18)9-6-17-4-3-5-20(22)12-17/h3-5,12-14,18H,6-11,15H2,1-2H3
InChIKeySVYOWNATZRGYQE-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 42528622
1-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-oxopyridine-4-carboxamide
CID 72922458
(2R)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,1-dimethylpiperidine-2-carboxamide
CID 42403620
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 25286650
(E)-but-2-enedioic acid;N-(3-fluorophenyl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]propanamide
CID 160990544
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
3-[2-[4-[(2-bromo-5-fluorophenyl)methyl]piperidin-1-yl]ethyl]-N,N-dimethylbenzamide
CID 10138576

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide (CID 72847651) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cn1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
The InChIKey is SVYOWNATZRGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-16-23-13-19(14-24-16)21(27)25(2)15-18-7-10-26(11-8-18)9-6-17-4-3-5-20(22)12-17/h3-5,12-14,18H,6-11,15H2,1-2H3.
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72847651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).