4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide

C15H32N4O — CID 66431392

IUPAC4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
SMILESCCC(C)N1CCN(C(CN)CC(=O)NC(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-5-13(4)18-6-8-19(9-7-18)14(11-16)10-15(20)17-12(2)3/h12-14H,5-11,16H2,1-4H3,(H,17,20)
InChIKeyMQVRXXHLPVDDQK-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.64
Rot. Bonds7

About 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide

4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 66431392) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
PubChem CID66431392
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide
SMILESCCC(C)N1CCN(C(CN)CC(=O)NC(C)C)CC1
InChIInChI=1S/C15H32N4O/c1-5-13(4)18-6-8-19(9-7-18)14(11-16)10-15(20)17-12(2)3/h12-14H,5-11,16H2,1-4H3,(H,17,20)
InChIKeyMQVRXXHLPVDDQK-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide (CID 66431392) is 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide is CCC(C)N1CCN(C(CN)CC(=O)NC(C)C)CC1.
What is the InChIKey of 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is MQVRXXHLPVDDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-13(4)18-6-8-19(9-7-18)14(11-16)10-15(20)17-12(2)3/h12-14H,5-11,16H2,1-4H3,(H,17,20).
What are the key properties of 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide?
4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 284.45 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-butan-2-ylpiperazin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66431392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).