N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride

C16H22ClN3O2 — CID 166176503

IUPACN-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H21N3O2.ClH/c17-10-12-6-9-19(11-12)15(21)16(7-8-16)18-14(20)13-4-2-1-3-5-13;/h1-5,12H,6-11,17H2,(H,18,20);1H
InChIKeyFRTKWJYJCORCSW-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.18
Rot. Bonds4

About N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride

N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride (PubChem CID 166176503) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
PubChem CID166176503
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C16H21N3O2.ClH/c17-10-12-6-9-19(11-12)15(21)16(7-8-16)18-14(20)13-4-2-1-3-5-13;/h1-5,12H,6-11,17H2,(H,18,20);1H
InChIKeyFRTKWJYJCORCSW-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-aminopyrrolidine-1-carbonyl)cyclopropyl]benzamide;hydrochloride
CID 166176501
N-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopropyl]benzamide
CID 166176498
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
N-[1-(3-methylpiperazine-1-carbonyl)cyclopropyl]benzamide
CID 166176518
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The IUPAC name of N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride (CID 166176503) is N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride is Cl.NCC1CCN(C(=O)C2(NC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
The InChIKey is FRTKWJYJCORCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c17-10-12-6-9-19(11-12)15(21)16(7-8-16)18-14(20)13-4-2-1-3-5-13;/h1-5,12H,6-11,17H2,(H,18,20);1H.
What are the key properties of N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride?
N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride is sourced from PubChem (CID 166176503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).