(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone

C16H29N3O — CID 63133084

IUPAC(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1
InChIInChI=1S/C16H29N3O/c1-16(7-4-8-17-13-16)15(20)19-11-9-18(10-12-19)14-5-2-3-6-14/h14,17H,2-13H2,1H3
InChIKeyKRDFRBRSOSEITQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 63133084) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
PubChem CID63133084
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1
InChIInChI=1S/C16H29N3O/c1-16(7-4-8-17-13-16)15(20)19-11-9-18(10-12-19)14-5-2-3-6-14/h14,17H,2-13H2,1H3
InChIKeyKRDFRBRSOSEITQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
1-[4-(3-methylpiperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 63131526
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
N-[1-(3-methylpiperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119944157
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one
CID 64681617
(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone (CID 63133084) is (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone is CC1(C(=O)N2CCN(C3CCCC3)CC2)CCCNC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is KRDFRBRSOSEITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(7-4-8-17-13-16)15(20)19-11-9-18(10-12-19)14-5-2-3-6-14/h14,17H,2-13H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 63133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).