N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide

C15H27N3O3 — CID 120946529

IUPACN-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC1CNCC1O
InChIInChI=1S/C15H27N3O3/c19-13-10-16-8-12(13)9-18-14(20)6-7-17-15(21)11-4-2-1-3-5-11/h11-13,16,19H,1-10H2,(H,17,21)(H,18,20)
InChIKeyCSQFWLWGFJMGKZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.23
Rot. Bonds6

About N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 120946529) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID120946529
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
SMILESO=C(CCNC(=O)C1CCCCC1)NCC1CNCC1O
InChIInChI=1S/C15H27N3O3/c19-13-10-16-8-12(13)9-18-14(20)6-7-17-15(21)11-4-2-1-3-5-11/h11-13,16,19H,1-10H2,(H,17,21)(H,18,20)
InChIKeyCSQFWLWGFJMGKZ-UHFFFAOYSA-N
XLogP-0.23
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
3-cyclopentyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 120945798
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 120944089
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 120946137
3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948547

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide (CID 120946529) is N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide is O=C(CCNC(=O)C1CCCCC1)NCC1CNCC1O.
What is the InChIKey of N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is CSQFWLWGFJMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-13-10-16-8-12(13)9-18-14(20)6-7-17-15(21)11-4-2-1-3-5-11/h11-13,16,19H,1-10H2,(H,17,21)(H,18,20).
What are the key properties of N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 120946529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).