(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

C25H32N4O2 — CID 31359712

IUPAC(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(C(=O)C(C)C)CC3)ccc21
InChIInChI=1S/C25H32N4O2/c1-5-29-22-9-7-6-8-20(22)21-16-19(10-11-23(21)29)26-24(30)18(4)27-12-14-28(15-13-27)25(31)17(2)3/h6-11,16-18H,5,12-15H2,1-4H3,(H,26,30)/t18-/m1/s1
InChIKeyFAJYZKLAAFCEHB-GOSISDBHSA-N
MW420.56 g/mol
LogP3.94
Rot. Bonds5

About (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 31359712) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID31359712
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(C(=O)C(C)C)CC3)ccc21
InChIInChI=1S/C25H32N4O2/c1-5-29-22-9-7-6-8-20(22)21-16-19(10-11-23(21)29)26-24(30)18(4)27-12-14-28(15-13-27)25(31)17(2)3/h6-11,16-18H,5,12-15H2,1-4H3,(H,26,30)/t18-/m1/s1
InChIKeyFAJYZKLAAFCEHB-GOSISDBHSA-N
XLogP3.94
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907109
1-[(2R)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530599
(2R)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 2546572
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30620277
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(9-ethylcarbazol-3-yl)propanamide
CID 40689904
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
(2R)-N-(9-ethylcarbazol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717773
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 8933608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 31359712) is (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(C(=O)C(C)C)CC3)ccc21.
What is the InChIKey of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is FAJYZKLAAFCEHB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-29-22-9-7-6-8-20(22)21-16-19(10-11-23(21)29)26-24(30)18(4)27-12-14-28(15-13-27)25(31)17(2)3/h6-11,16-18H,5,12-15H2,1-4H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 31359712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).