(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide

C19H37N3O2 — CID 95784085

IUPAC(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
SMILESCCC(CC)NC(=O)[C@H](C)N1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C19H37N3O2/c1-4-17(5-2)20-19(23)16(3)22-12-8-18(9-13-22)24-15-14-21-10-6-7-11-21/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyYITXAZWVLCADAH-INIZCTEOSA-N
MW339.52 g/mol
LogP2.26
Rot. Bonds9

About (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide

(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide (PubChem CID 95784085) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
PubChem CID95784085
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
SMILESCCC(CC)NC(=O)[C@H](C)N1CCC(OCCN2CCCC2)CC1
InChIInChI=1S/C19H37N3O2/c1-4-17(5-2)20-19(23)16(3)22-12-8-18(9-13-22)24-15-14-21-10-6-7-11-21/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyYITXAZWVLCADAH-INIZCTEOSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide with MolForge

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Related Compounds

(2S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide
CID 95784079
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide
CID 96522482
N-pentan-3-yl-2-[4-(propylamino)piperidin-1-yl]propanamide
CID 60818780
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine
CID 155702560
N-(2-cyanophenyl)-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]propanamide
CID 71852325
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-carbamoylpropanamide
CID 82692623
N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63309985

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide (CID 95784085) is (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide is CCC(CC)NC(=O)[C@H](C)N1CCC(OCCN2CCCC2)CC1.
What is the InChIKey of (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide?
The InChIKey is YITXAZWVLCADAH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-17(5-2)20-19(23)16(3)22-12-8-18(9-13-22)24-15-14-21-10-6-7-11-21/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide?
(2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide has a molecular weight of 339.52 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pentan-3-yl-2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]propanamide is sourced from PubChem (CID 95784085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).