(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

C19H30N4O2 — CID 95300521

IUPAC(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCc1ccccc1NC1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H30N4O2/c1-13(2)20-19(25)22-18(24)15(4)23-11-9-16(10-12-23)21-17-8-6-5-7-14(17)3/h5-8,13,15-16,21H,9-12H2,1-4H3,(H2,20,22,24,25)/t15-/m0/s1
InChIKeyBMAZBMKCDNJUFZ-HNNXBMFYSA-N
MW346.48 g/mol
LogP2.49
Rot. Bonds5

About (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (PubChem CID 95300521) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
PubChem CID95300521
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
SMILESCc1ccccc1NC1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H30N4O2/c1-13(2)20-19(25)22-18(24)15(4)23-11-9-16(10-12-23)21-17-8-6-5-7-14(17)3/h5-8,13,15-16,21H,9-12H2,1-4H3,(H2,20,22,24,25)/t15-/m0/s1
InChIKeyBMAZBMKCDNJUFZ-HNNXBMFYSA-N
XLogP2.49
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 55851155
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine
CID 54240879
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 51242554
(2S)-2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 40811536
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide (CID 95300521) is (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is Cc1ccccc1NC1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1.
What is the InChIKey of (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
The InChIKey is BMAZBMKCDNJUFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)20-19(25)22-18(24)15(4)23-11-9-16(10-12-23)21-17-8-6-5-7-14(17)3/h5-8,13,15-16,21H,9-12H2,1-4H3,(H2,20,22,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide?
(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 95300521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).