1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one

C23H29N3O2 — CID 6733236

IUPAC1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)CCOC)CC3)ccc21
InChIInChI=1S/C23H29N3O2/c1-3-26-21-7-5-4-6-19(21)20-16-18(8-9-22(20)26)17-24-11-13-25(14-12-24)23(27)10-15-28-2/h4-9,16H,3,10-15,17H2,1-2H3
InChIKeyFZZLACHVPUKBES-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one

1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 6733236) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID6733236
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one
SMILESCCn1c2ccccc2c2cc(CN3CCN(C(=O)CCOC)CC3)ccc21
InChIInChI=1S/C23H29N3O2/c1-3-26-21-7-5-4-6-19(21)20-16-18(8-9-22(20)26)17-24-11-13-25(14-12-24)23(27)10-15-28-2/h4-9,16H,3,10-15,17H2,1-2H3
InChIKeyFZZLACHVPUKBES-UHFFFAOYSA-N
XLogP3.50
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 17366841
9-ethyl-3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366921
3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole;oxalic acid
CID 2874389
N-[(1S)-1-[7-[(9-ethylcarbazol-3-yl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxypropanamide
CID 29150637
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole;oxalic acid
CID 17366842
9-ethyl-3-[[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]methyl]carbazole;oxalic acid
CID 163326617
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
3-[[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole
CID 2162914
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 6615586
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one (CID 6733236) is 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one is CCn1c2ccccc2c2cc(CN3CCN(C(=O)CCOC)CC3)ccc21.
What is the InChIKey of 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is FZZLACHVPUKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26-21-7-5-4-6-19(21)20-16-18(8-9-22(20)26)17-24-11-13-25(14-12-24)23(27)10-15-28-2/h4-9,16H,3,10-15,17H2,1-2H3.
What are the key properties of 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 6733236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).