N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide

C15H26N2O3 — CID 115966177

IUPACN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(O)C1CCN(C(=O)CCNC(=O)C2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(18)13-7-9-17(10-13)14(19)6-8-16-15(20)12-4-2-3-5-12/h11-13,18H,2-10H2,1H3,(H,16,20)
InChIKeyJIRDYUXQIFTNHF-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.91
Rot. Bonds5

About N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 115966177) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID115966177
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
SMILESCC(O)C1CCN(C(=O)CCNC(=O)C2CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(18)13-7-9-17(10-13)14(19)6-8-16-15(20)12-4-2-3-5-12/h11-13,18H,2-10H2,1H3,(H,16,20)
InChIKeyJIRDYUXQIFTNHF-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide (CID 115966177) is N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide is CC(O)C1CCN(C(=O)CCNC(=O)C2CCCC2)C1.
What is the InChIKey of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is JIRDYUXQIFTNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(18)13-7-9-17(10-13)14(19)6-8-16-15(20)12-4-2-3-5-12/h11-13,18H,2-10H2,1H3,(H,16,20).
What are the key properties of N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 115966177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).