2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide

C16H31N3O — CID 163344457

IUPAC2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-16(20)14(3)19-10-8-18(9-11-19)12-15-6-4-5-7-15/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyXUUCOUUKFULEKF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide

2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 163344457) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID163344457
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)17-16(20)14(3)19-10-8-18(9-11-19)12-15-6-4-5-7-15/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyXUUCOUUKFULEKF-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide (CID 163344457) is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is XUUCOUUKFULEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)17-16(20)14(3)19-10-8-18(9-11-19)12-15-6-4-5-7-15/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide?
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 163344457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).