[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate

C22H29N3O2 — CID 69474634

IUPAC[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate
SMILESNCCCN1CCC(c2cccc(OC(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C22H29N3O2/c23-12-5-13-25-14-10-19(11-15-25)20-8-4-9-21(16-20)27-22(26)24-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17,23H2,(H,24,26)
InChIKeyUZYSNTILARRWNK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.50
Rot. Bonds7

About [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate

[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate (PubChem CID 69474634) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate.

Molecular Properties

Compound Name[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate
PubChem CID69474634
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate
SMILESNCCCN1CCC(c2cccc(OC(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C22H29N3O2/c23-12-5-13-25-14-10-19(11-15-25)20-8-4-9-21(16-20)27-22(26)24-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17,23H2,(H,24,26)
InChIKeyUZYSNTILARRWNK-UHFFFAOYSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-prop-2-ynoxyphenyl)piperidin-1-yl]propan-1-amine
CID 22911572
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one
CID 22049070
[3-(1-benzylpyrrolidin-2-yl)phenyl] N-(2-morpholin-4-ylethyl)carbamate
CID 23361307
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
CID 22049519
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
4-[3-[5-[4-(3-methoxyphenyl)piperidin-1-yl]pentanoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22911542
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate?
The IUPAC name of [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate (CID 69474634) is [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate.
What is the SMILES notation for [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate?
The canonical SMILES for [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate is NCCCN1CCC(c2cccc(OC(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate?
The InChIKey is UZYSNTILARRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c23-12-5-13-25-14-10-19(11-15-25)20-8-4-9-21(16-20)27-22(26)24-17-18-6-2-1-3-7-18/h1-4,6-9,16,19H,5,10-15,17,23H2,(H,24,26).
What are the key properties of [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate?
[3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate has a molecular weight of 367.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-aminopropyl)piperidin-4-yl]phenyl] N-benzylcarbamate is sourced from PubChem (CID 69474634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).