(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

C18H24N4O2 — CID 94812566

IUPAC(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-12(17(23)21-18(24)19-2)22-9-7-13(8-10-22)16-11-14-5-3-4-6-15(14)20-16/h3-6,11-13,20H,7-10H2,1-2H3,(H2,19,21,23,24)/t12-/m0/s1
InChIKeyLJKHNEBJHQRTHW-LBPRGKRZSA-N
MW328.42 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 94812566) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID94812566
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-12(17(23)21-18(24)19-2)22-9-7-13(8-10-22)16-11-14-5-3-4-6-15(14)20-16/h3-6,11-13,20H,7-10H2,1-2H3,(H2,19,21,23,24)/t12-/m0/s1
InChIKeyLJKHNEBJHQRTHW-LBPRGKRZSA-N
XLogP2.19
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(1H-indol-2-yl)piperidin-1-yl]propanamide
CID 51097283
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
N-(methylcarbamoyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propanamide
CID 86773408
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
(2R)-2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(methylcarbamoyl)propanamide
CID 95238276
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
4-(1H-indol-2-yl)-N-(2-propan-2-yloxy-4-pyridinyl)piperidine-1-carboxamide
CID 167956930
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 94812566) is (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@H](C)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is LJKHNEBJHQRTHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(17(23)21-18(24)19-2)22-9-7-13(8-10-22)16-11-14-5-3-4-6-15(14)20-16/h3-6,11-13,20H,7-10H2,1-2H3,(H2,19,21,23,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
(2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94812566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).