1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride

C18H32Cl3N5O — CID 119903665

IUPAC1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3(N)CCCC3)nc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H29N5O.3ClH/c1-22(2)14-7-11-23(12-8-14)15-5-6-16(20-13-15)21-17(24)18(19)9-3-4-10-18;;;/h5-6,13-14H,3-4,7-12,19H2,1-2H3,(H,20,21,24);3*1H
InChIKeyFGDFQQIXPLZGBG-UHFFFAOYSA-N
MW440.85 g/mol
LogP3.09
Rot. Bonds4

About 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride

1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride (PubChem CID 119903665) has the molecular formula C18H32Cl3N5O and a molecular weight of 440.85 g/mol. Its IUPAC name is 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride.

Molecular Properties

Compound Name1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
PubChem CID119903665
Molecular FormulaC18H32Cl3N5O
Molecular Weight440.85 g/mol
Exact Mass439.17
IUPAC Name1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3(N)CCCC3)nc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H29N5O.3ClH/c1-22(2)14-7-11-23(12-8-14)15-5-6-16(20-13-15)21-17(24)18(19)9-3-4-10-18;;;/h5-6,13-14H,3-4,7-12,19H2,1-2H3,(H,20,21,24);3*1H
InChIKeyFGDFQQIXPLZGBG-UHFFFAOYSA-N
XLogP3.09
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride?
The IUPAC name of 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride (CID 119903665) is 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride.
What is the SMILES notation for 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride?
The canonical SMILES for 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride is CN(C)C1CCN(c2ccc(NC(=O)C3(N)CCCC3)nc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride?
The InChIKey is FGDFQQIXPLZGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O.3ClH/c1-22(2)14-7-11-23(12-8-14)15-5-6-16(20-13-15)21-17(24)18(19)9-3-4-10-18;;;/h5-6,13-14H,3-4,7-12,19H2,1-2H3,(H,20,21,24);3*1H.
What are the key properties of 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride?
1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride has a molecular weight of 440.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride is sourced from PubChem (CID 119903665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).