2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone

C14H26N4O — CID 62977907

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCN(C2CC2)C1
InChIInChI=1S/C14H26N4O/c1-16(11-14(19)17-8-5-15-6-9-17)13-4-7-18(10-13)12-2-3-12/h12-13,15H,2-11H2,1H3
InChIKeyQVMRPBZGDMKMQC-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.41
Rot. Bonds4

About 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 62977907) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID62977907
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCN(C2CC2)C1
InChIInChI=1S/C14H26N4O/c1-16(11-14(19)17-8-5-15-6-9-17)13-4-7-18(10-13)12-2-3-12/h12-13,15H,2-11H2,1H3
InChIKeyQVMRPBZGDMKMQC-UHFFFAOYSA-N
XLogP-0.41
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
1-cyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)pyrrolidin-3-amine
CID 79707522
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
CID 61018808
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide
CID 43603207

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone (CID 62977907) is 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is QVMRPBZGDMKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16(11-14(19)17-8-5-15-6-9-17)13-4-7-18(10-13)12-2-3-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 266.39 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62977907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).