N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

C15H28N2O3 — CID 131901425

IUPACN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(CC(O)CO)CC1)C1CCCC1
InChIInChI=1S/C15H28N2O3/c18-11-14(19)10-17-7-5-12(6-8-17)9-16-15(20)13-3-1-2-4-13/h12-14,18-19H,1-11H2,(H,16,20)
InChIKeyPDPAHKMXAQLHIU-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.36
Rot. Bonds6

About N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 131901425) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
PubChem CID131901425
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(CC(O)CO)CC1)C1CCCC1
InChIInChI=1S/C15H28N2O3/c18-11-14(19)10-17-7-5-12(6-8-17)9-16-15(20)13-3-1-2-4-13/h12-14,18-19H,1-11H2,(H,16,20)
InChIKeyPDPAHKMXAQLHIU-UHFFFAOYSA-N
XLogP0.36
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxypropyl)cyclohexylcarboxamide
CID 4999437
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
Cyclopentyl(4-hydroxypiperidin-1-yl)methanone
CID 39959573
4-[1-(2,3-Dihydroxypropyl)piperidin-4-yl]butyramide
CID 59641684
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749
[(3R)-3-hydroxypyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 86323805
2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-propylacetamide
CID 118534692
N-(2,3-dihydroxypropyl)-4-methylhexanamide
CID 131981768
N-(2,3-dihydroxypropyl)-4,5-dimethylhexanamide
CID 131981799
N-[(2R)-2,3-dihydroxypropyl]-2-propylhexanamide
CID 138583485
7-azaspiro[3.5]nonan-2-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 141412900
1-(2,3-dihydroxypropyl)-N-methylpiperidine-4-carboxamide
CID 149978459

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (CID 131901425) is N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1CCN(CC(O)CO)CC1)C1CCCC1.
What is the InChIKey of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is PDPAHKMXAQLHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-11-14(19)10-17-7-5-12(6-8-17)9-16-15(20)13-3-1-2-4-13/h12-14,18-19H,1-11H2,(H,16,20).
What are the key properties of N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 131901425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).