(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide

C18H25N3O2 — CID 95604431

IUPAC(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C18H25N3O2/c1-13-15(16-6-2-3-7-17(16)20-13)8-9-19-18(23)21-10-4-5-14(11-21)12-22/h2-3,6-7,14,20,22H,4-5,8-12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyDDFUSGZXIUDSFH-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.43
Rot. Bonds4

About (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide

(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 95604431) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID95604431
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C18H25N3O2/c1-13-15(16-6-2-3-7-17(16)20-13)8-9-19-18(23)21-10-4-5-14(11-21)12-22/h2-3,6-7,14,20,22H,4-5,8-12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyDDFUSGZXIUDSFH-AWEZNQCLSA-N
XLogP2.43
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-ylmethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 86888651
1-N,1-N-dimethyl-3-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72926271
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71868369
4-[(4-fluorophenyl)methyl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86882888
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 127273242
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
CID 111117261

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide (CID 95604431) is (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H](CO)C1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is DDFUSGZXIUDSFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-15(16-6-2-3-7-17(16)20-13)8-9-19-18(23)21-10-4-5-14(11-21)12-22/h2-3,6-7,14,20,22H,4-5,8-12H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95604431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).