N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide

C21H37N3O3 — CID 45220917

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25)
InChIKeyIUWIUGAYKXAENC-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.03
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45220917) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID45220917
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25)
InChIKeyIUWIUGAYKXAENC-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,10R)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369142
(5S,10S)-10-ethyl-9-(oxan-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375546
N-[rel-(3R,4S)-1-(2-ethoxyethyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72895452
1-[4-[2-(2,5-Dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 120154789
3-(2-Methylpropyl)-4-(oxane-4-carbonyl)piperazin-2-one
CID 121516011
1-ethyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
CID 136581483
3-(1'-acetyl-1,4'-bipiperidin-4-yl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45168669
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
Sdccgsbi-0115121.P001
CID 45233623
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]propanamide
CID 45238288
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide
CID 56787132
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide (CID 45220917) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is IUWIUGAYKXAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 379.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45220917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).