N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

C23H29N3O2 — CID 72911709

IUPACN-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-5-6-22(21(15-17)23(27)25-19-3-2-4-19)28-20-9-13-26(14-10-20)16-18-7-11-24-12-8-18/h5-8,11-12,15,19-20H,2-4,9-10,13-14,16H2,1H3,(H,25,27)
InChIKeyPGEYKXTWZPCHKI-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.72
Rot. Bonds6

About N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 72911709) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID72911709
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-5-6-22(21(15-17)23(27)25-19-3-2-4-19)28-20-9-13-26(14-10-20)16-18-7-11-24-12-8-18/h5-8,11-12,15,19-20H,2-4,9-10,13-14,16H2,1H3,(H,25,27)
InChIKeyPGEYKXTWZPCHKI-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45219695
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456925
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 58456833
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 97279626
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (CID 72911709) is N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCC2)c1.
What is the InChIKey of N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is PGEYKXTWZPCHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-5-6-22(21(15-17)23(27)25-19-3-2-4-19)28-20-9-13-26(14-10-20)16-18-7-11-24-12-8-18/h5-8,11-12,15,19-20H,2-4,9-10,13-14,16H2,1H3,(H,25,27).
What are the key properties of N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72911709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).