2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide

C14H26N4O — CID 55144900

IUPAC2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
SMILESNC(=O)C(CCN1CCN(C2CC2)CC1)NC1CC1
InChIInChI=1S/C14H26N4O/c15-14(19)13(16-11-1-2-11)5-6-17-7-9-18(10-8-17)12-3-4-12/h11-13,16H,1-10H2,(H2,15,19)
InChIKeyDVKQCGHHIXXTOW-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.24
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide

2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide (PubChem CID 55144900) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
PubChem CID55144900
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide
SMILESNC(=O)C(CCN1CCN(C2CC2)CC1)NC1CC1
InChIInChI=1S/C14H26N4O/c15-14(19)13(16-11-1-2-11)5-6-17-7-9-18(10-8-17)12-3-4-12/h11-13,16H,1-10H2,(H2,15,19)
InChIKeyDVKQCGHHIXXTOW-UHFFFAOYSA-N
XLogP-0.24
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide (CID 55144900) is 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide is NC(=O)C(CCN1CCN(C2CC2)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide?
The InChIKey is DVKQCGHHIXXTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-14(19)13(16-11-1-2-11)5-6-17-7-9-18(10-8-17)12-3-4-12/h11-13,16H,1-10H2,(H2,15,19).
What are the key properties of 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide?
2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide has a molecular weight of 266.39 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-cyclopropylpiperazin-1-yl)butanamide is sourced from PubChem (CID 55144900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).