4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide

C25H31N3O3 — CID 56548469

IUPAC4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC3CCN(CC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H31N3O3/c26-24(29)19-5-9-22(10-6-19)31-23-11-7-20(8-12-23)25(30)27-21-13-15-28(16-14-21)17-18-3-1-2-4-18/h5-12,18,21H,1-4,13-17H2,(H2,26,29)(H,27,30)
InChIKeyAOGRAUQKDQHERK-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.96
Rot. Bonds7

About 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide

4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide (PubChem CID 56548469) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
PubChem CID56548469
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC3CCN(CC4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C25H31N3O3/c26-24(29)19-5-9-22(10-6-19)31-23-11-7-20(8-12-23)25(30)27-21-13-15-28(16-14-21)17-18-3-1-2-4-18/h5-12,18,21H,1-4,13-17H2,(H2,26,29)(H,27,30)
InChIKeyAOGRAUQKDQHERK-UHFFFAOYSA-N
XLogP3.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
[4-[[1-(2-cyclopentylacetyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930472
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
1-N-[1-(cyclohexylmethyl)piperidin-4-yl]-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 44530498
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyclohexylbenzamide
CID 46687376
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-[(1,1-dioxothiolan-2-yl)methyl]piperidin-4-yl]benzamide
CID 167788597

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide (CID 56548469) is 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC3CCN(CC4CCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is AOGRAUQKDQHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c26-24(29)19-5-9-22(10-6-19)31-23-11-7-20(8-12-23)25(30)27-21-13-15-28(16-14-21)17-18-3-1-2-4-18/h5-12,18,21H,1-4,13-17H2,(H2,26,29)(H,27,30).
What are the key properties of 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide?
4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 421.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(cyclopentylmethyl)piperidin-4-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).