(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one

C14H28N4O — CID 10468265

IUPAC(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one
SMILESNCC[C@H](NC1CCNCC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H28N4O/c15-7-4-13(17-12-5-8-16-9-6-12)14(19)18-10-2-1-3-11-18/h12-13,16-17H,1-11,15H2/t13-/m0/s1
InChIKeyORGHXVLFNPGGND-ZDUSSCGKSA-N
MW268.40 g/mol
LogP0.06
Rot. Bonds5

About (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one

(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one (PubChem CID 10468265) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one.

Molecular Properties

Compound Name(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one
PubChem CID10468265
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one
SMILESNCC[C@H](NC1CCNCC1)C(=O)N1CCCCC1
InChIInChI=1S/C14H28N4O/c15-7-4-13(17-12-5-8-16-9-6-12)14(19)18-10-2-1-3-11-18/h12-13,16-17H,1-11,15H2/t13-/m0/s1
InChIKeyORGHXVLFNPGGND-ZDUSSCGKSA-N
XLogP0.06
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one?
The IUPAC name of (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one (CID 10468265) is (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one.
What is the SMILES notation for (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one?
The canonical SMILES for (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one is NCC[C@H](NC1CCNCC1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one?
The InChIKey is ORGHXVLFNPGGND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N4O/c15-7-4-13(17-12-5-8-16-9-6-12)14(19)18-10-2-1-3-11-18/h12-13,16-17H,1-11,15H2/t13-/m0/s1.
What are the key properties of (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one?
(2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)butan-1-one is sourced from PubChem (CID 10468265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).