ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate

C23H26ClN3O3 — CID 41118330

IUPACethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClN3O3/c1-3-30-23(29)27-10-8-17(9-11-27)25-22(28)14(2)15-4-6-18-19-13-16(24)5-7-20(19)26-21(18)12-15/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyYZVYZDDLYOXCMI-CQSZACIVSA-N
MW427.93 g/mol
LogP4.82
Rot. Bonds4

About ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate (PubChem CID 41118330) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
PubChem CID41118330
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Nameethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1
InChIInChI=1S/C23H26ClN3O3/c1-3-30-23(29)27-10-8-17(9-11-27)25-22(28)14(2)15-4-6-18-19-13-16(24)5-7-20(19)26-21(18)12-15/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyYZVYZDDLYOXCMI-CQSZACIVSA-N
XLogP4.82
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-chloro-9H-carbazol-2-yl)-N-cyclopropylpropanamide
CID 41062678
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
ethyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 113208788
1-(diethylamino)ethyl 2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 68796215
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 41087768
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
2-(6-chloro-9H-carbazol-2-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 71710526
ethyl 4-[1-(3-chlorophenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 55457285
(2R)-2-(6-chloro-9H-carbazol-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 40918719
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate (CID 41118330) is ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)CC1.
What is the InChIKey of ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate?
The InChIKey is YZVYZDDLYOXCMI-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-3-30-23(29)27-10-8-17(9-11-27)25-22(28)14(2)15-4-6-18-19-13-16(24)5-7-20(19)26-21(18)12-15/h4-7,12-14,17,26H,3,8-11H2,1-2H3,(H,25,28)/t14-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate has a molecular weight of 427.93 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 41118330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).