4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide

C23H31N5O3 — CID 56556621

IUPAC4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(18-1-2-18)27-9-11-28(12-10-27)23(30)24-20-3-4-21-19(17-20)5-6-26(21)8-7-25-13-15-31-16-14-25/h3-6,17-18H,1-2,7-16H2,(H,24,30)
InChIKeyILBRPKIKIBUELP-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.06
Rot. Bonds5

About 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide (PubChem CID 56556621) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
PubChem CID56556621
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H31N5O3/c29-22(18-1-2-18)27-9-11-28(12-10-27)23(30)24-20-3-4-21-19(17-20)5-6-26(21)8-7-25-13-15-31-16-14-25/h3-6,17-18H,1-2,7-16H2,(H,24,30)
InChIKeyILBRPKIKIBUELP-UHFFFAOYSA-N
XLogP2.06
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrrolidine-2-carboxamide
CID 119864704
5-cyclopropyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pyrazolidine-3-carboxamide
CID 75614179
3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
1-hexyl-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56557196
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 49498023
1-[(4-chlorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)indol-5-yl]urea
CID 56549716
2-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]pentanamide;dihydrochloride
CID 119864723

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide (CID 56556621) is 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide is O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide?
The InChIKey is ILBRPKIKIBUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22(18-1-2-18)27-9-11-28(12-10-27)23(30)24-20-3-4-21-19(17-20)5-6-26(21)8-7-25-13-15-31-16-14-25/h3-6,17-18H,1-2,7-16H2,(H,24,30).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 56556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).