2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde

C26H39N5O2 — CID 142784078

IUPAC2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(CN2CCOCC2)c(N2CCN(C3CC3)CC2)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C26H39N5O2/c32-20-22-2-1-21(19-27-15-17-33-18-16-27)25(30-11-7-28(8-12-30)23-3-4-23)26(22)31-13-9-29(10-14-31)24-5-6-24/h1-2,20,23-24H,3-19H2
InChIKeyIMMZAPLIQOVSQC-UHFFFAOYSA-N
MW453.63 g/mol
LogP1.90
Rot. Bonds7

About 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde

2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde (PubChem CID 142784078) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde
PubChem CID142784078
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde
SMILESO=Cc1ccc(CN2CCOCC2)c(N2CCN(C3CC3)CC2)c1N1CCN(C2CC2)CC1
InChIInChI=1S/C26H39N5O2/c32-20-22-2-1-21(19-27-15-17-33-18-16-27)25(30-11-7-28(8-12-30)23-3-4-23)26(22)31-13-9-29(10-14-31)24-5-6-24/h1-2,20,23-24H,3-19H2
InChIKeyIMMZAPLIQOVSQC-UHFFFAOYSA-N
XLogP1.90
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-cyclobutylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde;hydrochloride
CID 142784081
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
4-(4-cyclopropylpiperazine-1-carbonyl)benzaldehyde;(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 158582879
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzothiazole-6-carbaldehyde
CID 59588794
5-bromo-2-hydroxy-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)benzaldehyde
CID 100998969
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368
2-(4-cyclopropylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 61441804
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 61441416
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde?
The IUPAC name of 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde (CID 142784078) is 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde?
The canonical SMILES for 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde is O=Cc1ccc(CN2CCOCC2)c(N2CCN(C3CC3)CC2)c1N1CCN(C2CC2)CC1.
What is the InChIKey of 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde?
The InChIKey is IMMZAPLIQOVSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O2/c32-20-22-2-1-21(19-27-15-17-33-18-16-27)25(30-11-7-28(8-12-30)23-3-4-23)26(22)31-13-9-29(10-14-31)24-5-6-24/h1-2,20,23-24H,3-19H2.
What are the key properties of 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde?
2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde has a molecular weight of 453.63 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-cyclopropylpiperazin-1-yl)-4-(morpholin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 142784078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).