N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide

C18H27N3O2 — CID 45235322

IUPACN-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESCn1ccc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)c1
InChIInChI=1S/C18H27N3O2/c1-20-10-8-15(12-20)11-18(23)21-9-2-3-14(13-21)4-7-17(22)19-16-5-6-16/h8,10,12,14,16H,2-7,9,11,13H2,1H3,(H,19,22)
InChIKeyORBANFPMEKFLIU-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds6

About N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45235322) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID45235322
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESCn1ccc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)c1
InChIInChI=1S/C18H27N3O2/c1-20-10-8-15(12-20)11-18(23)21-9-2-3-14(13-21)4-7-17(22)19-16-5-6-16/h8,10,12,14,16H,2-7,9,11,13H2,1H3,(H,19,22)
InChIKeyORBANFPMEKFLIU-UHFFFAOYSA-N
XLogP1.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054
N-cyclopropyl-3-[(3R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119464
N-cyclopropyl-3-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119469
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
CID 42308218
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 25448695
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
N-[1-[2-(4-aminophenyl)acetyl]piperidin-3-yl]butanamide
CID 119761681
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide (CID 45235322) is N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide is Cn1ccc(CC(=O)N2CCCC(CCC(=O)NC3CC3)C2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is ORBANFPMEKFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20-10-8-15(12-20)11-18(23)21-9-2-3-14(13-21)4-7-17(22)19-16-5-6-16/h8,10,12,14,16H,2-7,9,11,13H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide?
N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45235322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).