N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C14H26N2O2 — CID 114178691

IUPACN-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCCC2CO)CCNC1
InChIInChI=1S/C14H26N2O2/c1-10(2)14(6-7-15-9-14)13(18)16-12-5-3-4-11(12)8-17/h10-12,15,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyBRKKFVBQBLRDNH-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 114178691) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID114178691
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NC2CCCC2CO)CCNC1
InChIInChI=1S/C14H26N2O2/c1-10(2)14(6-7-15-9-14)13(18)16-12-5-3-4-11(12)8-17/h10-12,15,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyBRKKFVBQBLRDNH-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
N-[2-(hydroxymethyl)cyclohexyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 106361521
N-(oxan-3-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980679
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
N-[1-(hydroxymethyl)cyclobutyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981299
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982353
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 114178691) is N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NC2CCCC2CO)CCNC1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BRKKFVBQBLRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)14(6-7-15-9-14)13(18)16-12-5-3-4-11(12)8-17/h10-12,15,17H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114178691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).