2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide

C19H28ClN3O3 — CID 55658570

IUPAC2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3/c1-3-9-21-18(24)13-23-10-7-16(8-11-23)22-19(25)14(2)26-17-6-4-5-15(20)12-17/h4-6,12,14,16H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYTMCQVKWUYFBDS-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.21
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide

2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide (PubChem CID 55658570) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
PubChem CID55658570
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClN3O3/c1-3-9-21-18(24)13-23-10-7-16(8-11-23)22-19(25)14(2)26-17-6-4-5-15(20)12-17/h4-6,12,14,16H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYTMCQVKWUYFBDS-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566581
2-(3-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250209
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 52503874
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide (CID 55658570) is 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide is CCCNC(=O)CN1CCC(NC(=O)C(C)Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
The InChIKey is YTMCQVKWUYFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O3/c1-3-9-21-18(24)13-23-10-7-16(8-11-23)22-19(25)14(2)26-17-6-4-5-15(20)12-17/h4-6,12,14,16H,3,7-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide?
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide has a molecular weight of 381.90 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55658570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).