methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate

C18H32N2O3 — CID 119704584

IUPACmethyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CC(C)C2CCCNC2)CCCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(15-8-7-11-19-13-15)12-16(21)20-18(17(22)23-2)9-5-3-4-6-10-18/h14-15,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyHDPWAVCRNFNHOD-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.39
Rot. Bonds5

About methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate

methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate (PubChem CID 119704584) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate
PubChem CID119704584
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Namemethyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CC(C)C2CCCNC2)CCCCCC1
InChIInChI=1S/C18H32N2O3/c1-14(15-8-7-11-19-13-15)12-16(21)20-18(17(22)23-2)9-5-3-4-6-10-18/h14-15,19H,3-13H2,1-2H3,(H,20,21)
InChIKeyHDPWAVCRNFNHOD-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-piperidin-3-ylbutanamide
CID 81048870
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119788862
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 106188309

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate?
The IUPAC name of methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate (CID 119704584) is methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate.
What is the SMILES notation for methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate?
The canonical SMILES for methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate is COC(=O)C1(NC(=O)CC(C)C2CCCNC2)CCCCCC1.
What is the InChIKey of methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate?
The InChIKey is HDPWAVCRNFNHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(15-8-7-11-19-13-15)12-16(21)20-18(17(22)23-2)9-5-3-4-6-10-18/h14-15,19H,3-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate?
methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-piperidin-3-ylbutanoylamino)cycloheptane-1-carboxylate is sourced from PubChem (CID 119704584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).