3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one

C10H19N3O — CID 60866002

IUPAC3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCNC1CC1)N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10(3-4-12-9-1-2-9)13-7-5-11-6-8-13/h9,11-12H,1-8H2
InChIKeyKBXDFYXHCMNNGV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds4

About 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one

3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one (PubChem CID 60866002) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
PubChem CID60866002
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCNC1CC1)N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10(3-4-12-9-1-2-9)13-7-5-11-6-8-13/h9,11-12H,1-8H2
InChIKeyKBXDFYXHCMNNGV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
3-(cyclopropylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219693
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
3-(cyclopropylamino)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60947240
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one (CID 60866002) is 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one is O=C(CCNC1CC1)N1CCNCC1.
What is the InChIKey of 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KBXDFYXHCMNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10(3-4-12-9-1-2-9)13-7-5-11-6-8-13/h9,11-12H,1-8H2.
What are the key properties of 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one?
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 60866002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).