1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C16H33Cl2N3O — CID 154886846

IUPAC1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeySCXIIBWZKCECAV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.59
Rot. Bonds5

About 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 154886846) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID154886846
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC Name1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeySCXIIBWZKCECAV-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
4-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 56714920
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 154886846) is 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is CC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is SCXIIBWZKCECAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154886846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).