(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

C18H34N4O2 — CID 100880785

IUPAC(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C2CCN(C)CC2)C1
InChIInChI=1S/C18H34N4O2/c1-13(2)11-19-18(24)20-17(23)14(3)22-10-7-16(12-22)15-5-8-21(4)9-6-15/h13-16H,5-12H2,1-4H3,(H2,19,20,23,24)/t14-,16+/m0/s1
InChIKeyFYHKEOUGQMUQBF-GOEBONIOSA-N
MW338.50 g/mol
LogP1.52
Rot. Bonds5

About (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 100880785) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID100880785
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C2CCN(C)CC2)C1
InChIInChI=1S/C18H34N4O2/c1-13(2)11-19-18(24)20-17(23)14(3)22-10-7-16(12-22)15-5-8-21(4)9-6-15/h13-16H,5-12H2,1-4H3,(H2,19,20,23,24)/t14-,16+/m0/s1
InChIKeyFYHKEOUGQMUQBF-GOEBONIOSA-N
XLogP1.52
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790
(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 95779850
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 34700937
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
2-(4-amino-3-ethylpiperidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 81460901
(2R)-2-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 95269319
1,4-dimethylpiperidine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271115
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 18281050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (CID 100880785) is (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[C@@H](C2CCN(C)CC2)C1.
What is the InChIKey of (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is FYHKEOUGQMUQBF-GOEBONIOSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13(2)11-19-18(24)20-17(23)14(3)22-10-7-16(12-22)15-5-8-21(4)9-6-15/h13-16H,5-12H2,1-4H3,(H2,19,20,23,24)/t14-,16+/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 338.50 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 100880785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).