methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate

C18H30N2O3 — CID 75473055

IUPACmethyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C18H30N2O3/c1-23-18(22)16-9-5-8-15(16)17(21)20-12-6-7-14(13-20)19-10-3-2-4-11-19/h14-16H,2-13H2,1H3
InChIKeyDAMNTHXNSLVQDP-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.05
Rot. Bonds3

About methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate

methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate (PubChem CID 75473055) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
PubChem CID75473055
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Namemethyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C18H30N2O3/c1-23-18(22)16-9-5-8-15(16)17(21)20-12-6-7-14(13-20)19-10-3-2-4-11-19/h14-16H,2-13H2,1H3
InChIKeyDAMNTHXNSLVQDP-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
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(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174686
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
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(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
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methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
CID 97062484
methyl 2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)acetate
CID 112617221
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxypropan-1-one
CID 115597897
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate (CID 75473055) is methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1C(=O)N1CCCC(N2CCCCC2)C1.
What is the InChIKey of methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate?
The InChIKey is DAMNTHXNSLVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-23-18(22)16-9-5-8-15(16)17(21)20-12-6-7-14(13-20)19-10-3-2-4-11-19/h14-16H,2-13H2,1H3.
What are the key properties of methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate?
methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 75473055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).