N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide

C15H27N3O2 — CID 122566433

IUPACN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide
SMILESCN1CCN([C@H]2COC[C@@H]2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-17-6-8-18(9-7-17)14-11-20-10-13(14)16-15(19)12-4-2-3-5-12/h12-14H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyJTXJMBORXRUZBE-KBPBESRZSA-N
MW281.40 g/mol
LogP0.31
Rot. Bonds3

About N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide

N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide (PubChem CID 122566433) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide
PubChem CID122566433
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide
SMILESCN1CCN([C@H]2COC[C@@H]2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-17-6-8-18(9-7-17)14-11-20-10-13(14)16-15(19)12-4-2-3-5-12/h12-14H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyJTXJMBORXRUZBE-KBPBESRZSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclopentanecarboxamide
CID 45814746
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-cyclopentylmethanone
CID 97377565
N-[2-(morpholin-4-yl)ethyl]cyclopentanecarboxamide
CID 868845
N-[2-(Morpholin-4-YL)ethyl]-2-propylpentanamide
CID 3125057
Cyclopentyl-[3-(oxan-4-ylamino)pyrrolidin-1-yl]methanone
CID 71917578
(2S)-2-amino-4-methyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86814752
2-(1-Cyclopentylethylamino)-1-morpholin-4-ylbutan-1-one
CID 91644816
(2S)-2-amino-3-methyl-1-(6-oxa-9-azaspiro[4.5]decan-9-yl)butan-1-one
CID 99852539
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 164640635
N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-piperidin-4-ylacetamide
CID 171359922

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide (CID 122566433) is N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide is CN1CCN([C@H]2COC[C@@H]2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide?
The InChIKey is JTXJMBORXRUZBE-KBPBESRZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-17-6-8-18(9-7-17)14-11-20-10-13(14)16-15(19)12-4-2-3-5-12/h12-14H,2-11H2,1H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide?
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 122566433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).