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

C27H37N5O3 — CID 30620277

IUPAC(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(CC(=O)NCCCOC)CC3)ccc21
InChIInChI=1S/C27H37N5O3/c1-4-32-24-9-6-5-8-22(24)23-18-21(10-11-25(23)32)29-27(34)20(2)31-15-13-30(14-16-31)19-26(33)28-12-7-17-35-3/h5-6,8-11,18,20H,4,7,12-17,19H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyPKEVVLMHTQKGDX-HXUWFJFHSA-N
MW479.63 g/mol
LogP2.91
Rot. Bonds10

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

(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 30620277) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID30620277
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(CC(=O)NCCCOC)CC3)ccc21
InChIInChI=1S/C27H37N5O3/c1-4-32-24-9-6-5-8-22(24)23-18-21(10-11-25(23)32)29-27(34)20(2)31-15-13-30(14-16-31)19-26(33)28-12-7-17-35-3/h5-6,8-11,18,20H,4,7,12-17,19H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1
InChIKeyPKEVVLMHTQKGDX-HXUWFJFHSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 31359712
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
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-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 8774372
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46820727
N-(3-butoxypropyl)-2-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethoxy]acetamide
CID 25246811
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
CID 138604593
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
(2R)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 2546572

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 30620277) is (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(CC(=O)NCCCOC)CC3)ccc21.
What is the InChIKey of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is PKEVVLMHTQKGDX-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-4-32-24-9-6-5-8-22(24)23-18-21(10-11-25(23)32)29-27(34)20(2)31-15-13-30(14-16-31)19-26(33)28-12-7-17-35-3/h5-6,8-11,18,20H,4,7,12-17,19H2,1-3H3,(H,28,33)(H,29,34)/t20-/m1/s1.
What are the key properties of (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 479.63 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(9-ethylcarbazol-3-yl)-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30620277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).