N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

C25H30N4O3S — CID 42934711

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H30N4O3S/c30-24(28-11-13-32-14-12-28)18-7-9-29(10-8-18)25(31)27-17-21(23-6-3-15-33-23)20-16-26-22-5-2-1-4-19(20)22/h1-6,15-16,18,21,26H,7-14,17H2,(H,27,31)
InChIKeyLVZCHPIMSFUCFN-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 42934711) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
PubChem CID42934711
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H30N4O3S/c30-24(28-11-13-32-14-12-28)18-7-9-29(10-8-18)25(31)27-17-21(23-6-3-15-33-23)20-16-26-22-5-2-1-4-19(20)22/h1-6,15-16,18,21,26H,7-14,17H2,(H,27,31)
InChIKeyLVZCHPIMSFUCFN-UHFFFAOYSA-N
XLogP3.64
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyphenyl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 42934708
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 51924941
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 9452151
1-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)thiourea
CID 55353480
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56581131
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
CID 51968356
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17448641

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (CID 42934711) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide is O=C(NCC(c1cccs1)c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is LVZCHPIMSFUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c30-24(28-11-13-32-14-12-28)18-7-9-29(10-8-18)25(31)27-17-21(23-6-3-15-33-23)20-16-26-22-5-2-1-4-19(20)22/h1-6,15-16,18,21,26H,7-14,17H2,(H,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 42934711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).