N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide

C21H25FN4O — CID 126441326

IUPACN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C21H25FN4O/c22-18-6-4-16(5-7-18)20(17-8-10-23-11-9-17)24-21(27)26-14-19(15-26)25-12-2-1-3-13-25/h4-11,19-20H,1-3,12-15H2,(H,24,27)/t20-/m1/s1
InChIKeyOBUUNIKYZDTNMJ-HXUWFJFHSA-N
MW368.46 g/mol
LogP3.19
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide (PubChem CID 126441326) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
PubChem CID126441326
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
SMILESO=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C21H25FN4O/c22-18-6-4-16(5-7-18)20(17-8-10-23-11-9-17)24-21(27)26-14-19(15-26)25-12-2-1-3-13-25/h4-11,19-20H,1-3,12-15H2,(H,24,27)/t20-/m1/s1
InChIKeyOBUUNIKYZDTNMJ-HXUWFJFHSA-N
XLogP3.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 126425910
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
N-benzhydryl-3-(4-fluorophenyl)azepane-1-carboxamide
CID 121130962
N-[1-(2,4-difluorophenyl)ethyl]-3-piperidin-1-ylazetidine-1-carboxamide;formic acid
CID 154909605
1-(2-amino-2-oxoethyl)-N-[(S)-(4-fluorophenyl)-pyridin-4-ylmethyl]piperidine-4-carboxamide
CID 97152357
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide (CID 126441326) is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide is O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CC(N2CCCCC2)C1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
The InChIKey is OBUUNIKYZDTNMJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-6-4-16(5-7-18)20(17-8-10-23-11-9-17)24-21(27)26-14-19(15-26)25-12-2-1-3-13-25/h4-11,19-20H,1-3,12-15H2,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide?
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide is sourced from PubChem (CID 126441326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).