3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

C18H25N3O2 — CID 119716914

IUPAC3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1
InChIInChI=1S/C18H25N3O2/c19-16-8-7-15(10-16)18(23)20-11-13-3-5-14(6-4-13)12-21-9-1-2-17(21)22/h3-6,15-16H,1-2,7-12,19H2,(H,20,23)
InChIKeyZHWFUQFBORCVLM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119716914) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119716914
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1
InChIInChI=1S/C18H25N3O2/c19-16-8-7-15(10-16)18(23)20-11-13-3-5-14(6-4-13)12-21-9-1-2-17(21)22/h3-6,15-16H,1-2,7-12,19H2,(H,20,23)
InChIKeyZHWFUQFBORCVLM-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986897
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119716916
3-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119724391
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
2-methyl-1-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110917873
3-amino-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119838440
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119740521
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 119716914) is 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1.
What is the InChIKey of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is ZHWFUQFBORCVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-16-8-7-15(10-16)18(23)20-11-13-3-5-14(6-4-13)12-21-9-1-2-17(21)22/h3-6,15-16H,1-2,7-12,19H2,(H,20,23).
What are the key properties of 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119716914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).