(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide

C18H23N3O2 — CID 95585123

IUPAC(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-13-6-7-15(18(19)23)12-21(13)17(22)9-11-20-10-8-14-4-2-3-5-16(14)20/h2-5,8,10,13,15H,6-7,9,11-12H2,1H3,(H2,19,23)/t13-,15-/m0/s1
InChIKeyBREUNOXPDMLWIW-ZFWWWQNUSA-N
MW313.40 g/mol
LogP2.14
Rot. Bonds4

About (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide

(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95585123) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID95585123
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-13-6-7-15(18(19)23)12-21(13)17(22)9-11-20-10-8-14-4-2-3-5-16(14)20/h2-5,8,10,13,15H,6-7,9,11-12H2,1H3,(H2,19,23)/t13-,15-/m0/s1
InChIKeyBREUNOXPDMLWIW-ZFWWWQNUSA-N
XLogP2.14
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
(3R,6R)-1-[5-(4-methoxyphenyl)pentanoyl]-6-methylpiperidine-3-carboxamide
CID 95584894
3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 71899042
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94482779
(3S,6S)-1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 95584989
1-[4-(1,3-benzoxazol-2-yl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 56820047
(3S,6S)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820120
(3S,6R)-1-[4-(3-acetylphenoxy)butanoyl]-6-methylpiperidine-3-carboxamide
CID 94820119
(3S,6S)-6-methyl-1-(2-quinolin-8-ylacetyl)piperidine-3-carboxamide
CID 95585501

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide (CID 95585123) is (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21.
What is the InChIKey of (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is BREUNOXPDMLWIW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-7-15(18(19)23)12-21(13)17(22)9-11-20-10-8-14-4-2-3-5-16(14)20/h2-5,8,10,13,15H,6-7,9,11-12H2,1H3,(H2,19,23)/t13-,15-/m0/s1.
What are the key properties of (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-(3-indol-1-ylpropanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95585123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).