phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate

C14H20N2O2 — CID 60668667

IUPACphenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
SMILESO=C(NCCCN1CCCC1)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(18-13-7-2-1-3-8-13)15-9-6-12-16-10-4-5-11-16/h1-3,7-8H,4-6,9-12H2,(H,15,17)
InChIKeyFRAYGDIQFSUIAN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds5

About phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate

phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate (PubChem CID 60668667) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
PubChem CID60668667
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namephenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
SMILESO=C(NCCCN1CCCC1)Oc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-14(18-13-7-2-1-3-8-13)15-9-6-12-16-10-4-5-11-16/h1-3,7-8H,4-6,9-12H2,(H,15,17)
InChIKeyFRAYGDIQFSUIAN-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate 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

phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
phenyl N-(3-bromopropyl)carbamate
CID 142499000
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
phenyl N-hex-5-ynylcarbamate
CID 103758023
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
(4-benzylphenyl) N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 90467592

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The IUPAC name of phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate (CID 60668667) is phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate.
What is the SMILES notation for phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The canonical SMILES for phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate is O=C(NCCCN1CCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
The InChIKey is FRAYGDIQFSUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18-13-7-2-1-3-8-13)15-9-6-12-16-10-4-5-11-16/h1-3,7-8H,4-6,9-12H2,(H,15,17).
What are the key properties of phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate?
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate is sourced from PubChem (CID 60668667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).