[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate

C24H31N3O3 — CID 50906633

IUPAC[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(2)25-24(29)30-22-10-8-19(9-11-22)16-23(28)26-21-12-14-27(15-13-21)17-20-6-4-3-5-7-20/h3-11,18,21H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVEDNYBRZFUMIPL-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.51
Rot. Bonds7

About [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate

[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate (PubChem CID 50906633) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate
PubChem CID50906633
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-18(2)25-24(29)30-22-10-8-19(9-11-22)16-23(28)26-21-12-14-27(15-13-21)17-20-6-4-3-5-7-20/h3-11,18,21H,12-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVEDNYBRZFUMIPL-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
[3-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-(2-methylphenyl)carbamate;hydrochloride
CID 50907676
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate?
The IUPAC name of [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate (CID 50906633) is [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate?
The canonical SMILES for [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate?
The InChIKey is VEDNYBRZFUMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(2)25-24(29)30-22-10-8-19(9-11-22)16-23(28)26-21-12-14-27(15-13-21)17-20-6-4-3-5-7-20/h3-11,18,21H,12-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate?
[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate has a molecular weight of 409.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]phenyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 50906633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).