3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide

C22H28N4O2 — CID 97279626

IUPAC3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c27-22(25-19-6-11-24-15-19)18-2-1-3-21(14-18)28-20-7-12-26(13-8-20)16-17-4-9-23-10-5-17/h1-5,9-10,14,19-20,24H,6-8,11-13,15-16H2,(H,25,27)/t19-/m0/s1
InChIKeyUJINAVVNVKJAMR-IBGZPJMESA-N
MW380.49 g/mol
LogP2.22
Rot. Bonds6

About 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide

3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 97279626) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID97279626
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c27-22(25-19-6-11-24-15-19)18-2-1-3-21(14-18)28-20-7-12-26(13-8-20)16-17-4-9-23-10-5-17/h1-5,9-10,14,19-20,24H,6-8,11-13,15-16H2,(H,25,27)/t19-/m0/s1
InChIKeyUJINAVVNVKJAMR-IBGZPJMESA-N
XLogP2.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
3-(1-benzylpiperidin-4-yl)oxy-N-[1-[iodo(phenyl)methyl]piperidin-4-yl]benzamide
CID 69045875
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyrrolidin-3-ylbenzamide
CID 119452950
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-(1-methylpyrazol-4-yl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 119058818
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 97279626) is 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1cccc(OC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is UJINAVVNVKJAMR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(25-19-6-11-24-15-19)18-2-1-3-21(14-18)28-20-7-12-26(13-8-20)16-17-4-9-23-10-5-17/h1-5,9-10,14,19-20,24H,6-8,11-13,15-16H2,(H,25,27)/t19-/m0/s1.
What are the key properties of 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 97279626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).