(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one

C15H29N3O — CID 11437087

IUPAC(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCNC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14(15(19)18-11-5-2-6-12-18)9-10-17-13-7-3-1-4-8-13/h13-14,17H,1-12,16H2/t14-/m0/s1
InChIKeySJMLTPPPLDQUDO-AWEZNQCLSA-N
MW267.42 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one

(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one (PubChem CID 11437087) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one
PubChem CID11437087
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one
SMILESN[C@@H](CCNC1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H29N3O/c16-14(15(19)18-11-5-2-6-12-18)9-10-17-13-7-3-1-4-8-13/h13-14,17H,1-12,16H2/t14-/m0/s1
InChIKeySJMLTPPPLDQUDO-AWEZNQCLSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one (CID 11437087) is (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one is N[C@@H](CCNC1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one?
The InChIKey is SJMLTPPPLDQUDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O/c16-14(15(19)18-11-5-2-6-12-18)9-10-17-13-7-3-1-4-8-13/h13-14,17H,1-12,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one?
(2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(cyclohexylamino)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 11437087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).