2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide

C24H29N5O3 — CID 86966289

IUPAC2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)C1
InChIInChI=1S/C24H29N5O3/c1-32-22-11-5-4-10-21(22)29-12-6-7-17(15-29)27-23(30)20(28-24(25)31)13-16-14-26-19-9-3-2-8-18(16)19/h2-5,8-11,14,17,20,26H,6-7,12-13,15H2,1H3,(H,27,30)(H3,25,28,31)
InChIKeyVQWUWQGHUQZYRT-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.54
Rot. Bonds7

About 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide

2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide (PubChem CID 86966289) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
PubChem CID86966289
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
SMILESCOc1ccccc1N1CCCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)C1
InChIInChI=1S/C24H29N5O3/c1-32-22-11-5-4-10-21(22)29-12-6-7-17(15-29)27-23(30)20(28-24(25)31)13-16-14-26-19-9-3-2-8-18(16)19/h2-5,8-11,14,17,20,26H,6-7,12-13,15H2,1H3,(H,27,30)(H3,25,28,31)
InChIKeyVQWUWQGHUQZYRT-UHFFFAOYSA-N
XLogP2.54
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)-N-[(1R)-1-cyclopropylethyl]-3-(1H-indol-3-yl)propanamide
CID 33044135
2-(carbamoylamino)-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide
CID 71902105
methyl (2R)-3-(1H-indol-3-yl)-2-[(1-pyrimidin-2-ylpiperidine-3-carbonyl)amino]propanoate
CID 55938302
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
(2S)-2-(carbamoylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indol-3-yl)propanamide
CID 8927914
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 3110641
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide (CID 86966289) is 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide is COc1ccccc1N1CCCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)C1.
What is the InChIKey of 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide?
The InChIKey is VQWUWQGHUQZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-32-22-11-5-4-10-21(22)29-12-6-7-17(15-29)27-23(30)20(28-24(25)31)13-16-14-26-19-9-3-2-8-18(16)19/h2-5,8-11,14,17,20,26H,6-7,12-13,15H2,1H3,(H,27,30)(H3,25,28,31).
What are the key properties of 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide?
2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide has a molecular weight of 435.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 86966289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).