benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate

C35H43N3O3 — CID 3013677

IUPACbenzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1
InChIInChI=1S/C35H43N3O3/c39-34(32-16-10-22-37(27-32)35(40)41-28-31-14-6-2-7-15-31)38(33-17-8-3-9-18-33)23-11-21-36-24-19-30(20-25-36)26-29-12-4-1-5-13-29/h1-9,12-15,17-18,30,32H,10-11,16,19-28H2
InChIKeyNAMNVKJJMXSBMN-UHFFFAOYSA-N
MW553.75 g/mol
LogP6.41
Rot. Bonds10

About benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate

benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate (PubChem CID 3013677) has the molecular formula C35H43N3O3 and a molecular weight of 553.75 g/mol. Its IUPAC name is benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate
PubChem CID3013677
Molecular FormulaC35H43N3O3
Molecular Weight553.75 g/mol
Exact Mass553.33
IUPAC Namebenzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1
InChIInChI=1S/C35H43N3O3/c39-34(32-16-10-22-37(27-32)35(40)41-28-31-14-6-2-7-15-31)38(33-17-8-3-9-18-33)23-11-21-36-24-19-30(20-25-36)26-29-12-4-1-5-13-29/h1-9,12-15,17-18,30,32H,10-11,16,19-28H2
InChIKeyNAMNVKJJMXSBMN-UHFFFAOYSA-N
XLogP6.41
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2S)-2-[[4-[(E)-2-[4-[[(2S)-1-benzyloxycarbonylpiperidine-2-carbonyl]amino]phenyl]vinyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15978897
(+/-)-benzyl 2-methyl-4-(N-phenylacetamido)-3,4-dihydroquinoline-1(2H)-carboxylate
CID 46878931
{(S)-1-[(S)-1-Benzyl-2-(4-piperidin-1-yl-phenylamino)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CID 10437715
((R)-3-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-butyl)-carbamic acid benzyl ester
CID 44383306
benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
CID 155515662
Benzyl 2-[3-(4-cyclopentylpiperazin-1-yl)phenyl]piperidine-1-carboxylate
CID 168272172
Benzyl 2-[3-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]phenyl]piperidine-1-carboxylate
CID 168278492
Benzyl 4-methyl-2-[3-(4-propylpiperazin-1-yl)phenyl]piperazine-1-carboxylate
CID 168283172
Benzyl 2-[3-(4-propylpiperazin-1-yl)phenyl]piperidine-1-carboxylate
CID 168296125
Benzyl 2-[4-(4-propylpiperazin-1-yl)phenyl]piperidine-1-carboxylate
CID 168296763
Benzyl 4-[3-(4-benzyl-1-piperidyl)propyl-phenyl-carbamoyl]piperidine-1-carboxylate
CID 3013671
benzyl N-[3-(4-benzyl-1-piperidyl)propyl]-N-phenyl-carbamate
CID 3008328

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate (CID 3013677) is benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1.
What is the InChIKey of benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is NAMNVKJJMXSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O3/c39-34(32-16-10-22-37(27-32)35(40)41-28-31-14-6-2-7-15-31)38(33-17-8-3-9-18-33)23-11-21-36-24-19-30(20-25-36)26-29-12-4-1-5-13-29/h1-9,12-15,17-18,30,32H,10-11,16,19-28H2.
What are the key properties of benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate?
benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 553.75 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[3-(4-benzylpiperidin-1-yl)propyl-phenylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 3013677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).