[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C17H26N4O — CID 147395489

IUPAC[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCC(C)(N)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,18)21-12-15(13-21)19-8-10-20(11-9-19)16(22)14-6-4-3-5-7-14/h3-7,15H,8-13,18H2,1-2H3
InChIKeyDNSCDNQXFMUPRD-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.82
Rot. Bonds3

About [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 147395489) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID147395489
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCC(C)(N)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,18)21-12-15(13-21)19-8-10-20(11-9-19)16(22)14-6-4-3-5-7-14/h3-7,15H,8-13,18H2,1-2H3
InChIKeyDNSCDNQXFMUPRD-UHFFFAOYSA-N
XLogP0.82
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 147395489) is [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is CC(C)(N)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is DNSCDNQXFMUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,18)21-12-15(13-21)19-8-10-20(11-9-19)16(22)14-6-4-3-5-7-14/h3-7,15H,8-13,18H2,1-2H3.
What are the key properties of [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 302.42 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 147395489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).