(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate

C9H18N4O2 — CID 175422718

IUPAC(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate
SMILESNC(=O)ON1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H18N4O2/c10-9(14)15-13-5-3-12(4-6-13)8-1-2-11-7-8/h8,11H,1-7H2,(H2,10,14)
InChIKeyOPGCRRASTWMUEE-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.02
Rot. Bonds2

About (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate

(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate (PubChem CID 175422718) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate.

Molecular Properties

Compound Name(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate
PubChem CID175422718
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate
SMILESNC(=O)ON1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H18N4O2/c10-9(14)15-13-5-3-12(4-6-13)8-1-2-11-7-8/h8,11H,1-7H2,(H2,10,14)
InChIKeyOPGCRRASTWMUEE-UHFFFAOYSA-N
XLogP-1.02
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-pyrrolidin-3-ylpiperazin-1-yl) 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

(4-piperidin-4-ylpiperazin-1-yl) 3,3-dimethylbutanoate
CID 174493543
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
4-[(3R)-pyrrolidin-3-yl]morpholine-2-carboxamide
CID 140671738
butyl N-(4-pyrrolidin-3-ylpiperazin-1-yl)carbamate
CID 175834152
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016
1-(iodomethyl)-4-pyrrolidin-3-ylpiperazine
CID 137353181
1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea
CID 163632222
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608
1-pyrrolidin-3-ylazepan-4-ol
CID 115016770
[1-[(3R)-pyrrolidin-3-yl]piperazin-2-yl] 2-amino-2-oxoacetate
CID 168822375
3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 174385756

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate?
The IUPAC name of (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate (CID 175422718) is (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate.
What is the SMILES notation for (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate?
The canonical SMILES for (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate is NC(=O)ON1CCN(C2CCNC2)CC1.
What is the InChIKey of (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate?
The InChIKey is OPGCRRASTWMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c10-9(14)15-13-5-3-12(4-6-13)8-1-2-11-7-8/h8,11H,1-7H2,(H2,10,14).
What are the key properties of (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate?
(4-pyrrolidin-3-ylpiperazin-1-yl) carbamate has a molecular weight of 214.27 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-3-ylpiperazin-1-yl) carbamate is sourced from PubChem (CID 175422718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).