1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide

C15H29N3O — CID 104968705

IUPAC1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C15H29N3O/c1-11-5-3-6-12(2)18(11)10-8-13-7-4-9-15(13,17)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19)/t11-,12+,13?,15?
InChIKeyHMQZIEMXYYJWRE-DOOHLRMFSA-N
MW267.42 g/mol
LogP1.62
Rot. Bonds4

About 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 104968705) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID104968705
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1CCC1CCCC1(N)C(N)=O
InChIInChI=1S/C15H29N3O/c1-11-5-3-6-12(2)18(11)10-8-13-7-4-9-15(13,17)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19)/t11-,12+,13?,15?
InChIKeyHMQZIEMXYYJWRE-DOOHLRMFSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide (CID 104968705) is 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide is C[C@@H]1CCC[C@H](C)N1CCC1CCCC1(N)C(N)=O.
What is the InChIKey of 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is HMQZIEMXYYJWRE-DOOHLRMFSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-5-3-6-12(2)18(11)10-8-13-7-4-9-15(13,17)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19)/t11-,12+,13?,15?.
What are the key properties of 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 104968705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).