(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C22H31N3O3 — CID 93076941

IUPAC(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCCOCCCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-28-14-6-11-23-21(26)16(2)17-9-12-25(13-10-17)22(27)20-15-18-7-4-5-8-19(18)24-20/h4-5,7-8,15-17,24H,3,6,9-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyLVCLTZLNWLRFQQ-MRXNPFEDSA-N
MW385.51 g/mol
LogP3.20
Rot. Bonds8

About (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 93076941) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID93076941
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCCOCCCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-28-14-6-11-23-21(26)16(2)17-9-12-25(13-10-17)22(27)20-15-18-7-4-5-8-19(18)24-20/h4-5,7-8,15-17,24H,3,6,9-14H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyLVCLTZLNWLRFQQ-MRXNPFEDSA-N
XLogP3.20
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 93076941) is (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is CCOCCCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LVCLTZLNWLRFQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-28-14-6-11-23-21(26)16(2)17-9-12-25(13-10-17)22(27)20-15-18-7-4-5-8-19(18)24-20/h4-5,7-8,15-17,24H,3,6,9-14H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 93076941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).