N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide

C25H31FN4O2 — CID 118182069

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
SMILESC[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ncccc4F)cc3)CC2)C1
InChIInChI=1S/C25H31FN4O2/c1-18-4-3-13-30(17-18)21-10-14-29(15-11-21)25(32)20-8-6-19(7-9-20)24(31)28-16-23-22(26)5-2-12-27-23/h2,5-9,12,18,21H,3-4,10-11,13-17H2,1H3,(H,28,31)/t18-/m1/s1
InChIKeyMDMVDUWKSGZHHV-GOSISDBHSA-N
MW438.55 g/mol
LogP3.49
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide

N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide (PubChem CID 118182069) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
PubChem CID118182069
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
SMILESC[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ncccc4F)cc3)CC2)C1
InChIInChI=1S/C25H31FN4O2/c1-18-4-3-13-30(17-18)21-10-14-29(15-11-21)25(32)20-8-6-19(7-9-20)24(31)28-16-23-22(26)5-2-12-27-23/h2,5-9,12,18,21H,3-4,10-11,13-17H2,1H3,(H,28,31)/t18-/m1/s1
InChIKeyMDMVDUWKSGZHHV-GOSISDBHSA-N
XLogP3.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide
CID 123562114
N-[(2-chloro-3-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652194
N-[(2-chloro-4-pyridinyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652139
N-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182106
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
[2-[1-(3-fluoro-2-pyridinyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 176957497
N-[2-(3-chlorophenyl)propan-2-yl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652154
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652145
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide (CID 118182069) is N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide is C[C@@H]1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ncccc4F)cc3)CC2)C1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide?
The InChIKey is MDMVDUWKSGZHHV-GOSISDBHSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-18-4-3-13-30(17-18)21-10-14-29(15-11-21)25(32)20-8-6-19(7-9-20)24(31)28-16-23-22(26)5-2-12-27-23/h2,5-9,12,18,21H,3-4,10-11,13-17H2,1H3,(H,28,31)/t18-/m1/s1.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide?
N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 118182069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).