N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide

C14H27N3O — CID 61442974

IUPACN-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)N1CCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-4-9-17(13-5-6-13)14(18)12(2)16-10-7-15-8-11-16/h12-13,15H,3-11H2,1-2H3
InChIKeyIKDFNUNQVZTRSQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds6

About N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide

N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide (PubChem CID 61442974) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
PubChem CID61442974
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
SMILESCCCCN(C(=O)C(C)N1CCNCC1)C1CC1
InChIInChI=1S/C14H27N3O/c1-3-4-9-17(13-5-6-13)14(18)12(2)16-10-7-15-8-11-16/h12-13,15H,3-11H2,1-2H3
InChIKeyIKDFNUNQVZTRSQ-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide
CID 64586962
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
CID 63691474
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
CID 104903070
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 54995362
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide (CID 61442974) is N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide is CCCCN(C(=O)C(C)N1CCNCC1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide?
The InChIKey is IKDFNUNQVZTRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-4-9-17(13-5-6-13)14(18)12(2)16-10-7-15-8-11-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide?
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 61442974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).