2-amino-N-(1-propylpiperidin-4-yl)butanediamide

C12H24N4O2 — CID 61275785

IUPAC2-amino-N-(1-propylpiperidin-4-yl)butanediamide
SMILESCCCN1CCC(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C12H24N4O2/c1-2-5-16-6-3-9(4-7-16)15-12(18)10(13)8-11(14)17/h9-10H,2-8,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyUDLFYNCNCSMAGO-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.82
Rot. Bonds6

About 2-amino-N-(1-propylpiperidin-4-yl)butanediamide

2-amino-N-(1-propylpiperidin-4-yl)butanediamide (PubChem CID 61275785) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-N-(1-propylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1-propylpiperidin-4-yl)butanediamide
PubChem CID61275785
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-amino-N-(1-propylpiperidin-4-yl)butanediamide
SMILESCCCN1CCC(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C12H24N4O2/c1-2-5-16-6-3-9(4-7-16)15-12(18)10(13)8-11(14)17/h9-10H,2-8,13H2,1H3,(H2,14,17)(H,15,18)
InChIKeyUDLFYNCNCSMAGO-UHFFFAOYSA-N
XLogP-0.82
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-propylpiperidin-4-yl)butanediamide?
The IUPAC name of 2-amino-N-(1-propylpiperidin-4-yl)butanediamide (CID 61275785) is 2-amino-N-(1-propylpiperidin-4-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(1-propylpiperidin-4-yl)butanediamide?
The canonical SMILES for 2-amino-N-(1-propylpiperidin-4-yl)butanediamide is CCCN1CCC(NC(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of 2-amino-N-(1-propylpiperidin-4-yl)butanediamide?
The InChIKey is UDLFYNCNCSMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-2-5-16-6-3-9(4-7-16)15-12(18)10(13)8-11(14)17/h9-10H,2-8,13H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-(1-propylpiperidin-4-yl)butanediamide?
2-amino-N-(1-propylpiperidin-4-yl)butanediamide has a molecular weight of 256.35 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-propylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 61275785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).