N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide

C18H26ClN3O3 — CID 119761665

IUPACN-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C18H26ClN3O3/c1-3-5-17(23)21-10-12-6-4-7-22(11-12)18(24)13-8-14(19)15(20)9-16(13)25-2/h8-9,12H,3-7,10-11,20H2,1-2H3,(H,21,23)
InChIKeyORWGFVQNVMFNSE-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.70
Rot. Bonds6

About N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide

N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 119761665) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
PubChem CID119761665
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cc(Cl)c(N)cc2OC)C1
InChIInChI=1S/C18H26ClN3O3/c1-3-5-17(23)21-10-12-6-4-7-22(11-12)18(24)13-8-14(19)15(20)9-16(13)25-2/h8-9,12H,3-7,10-11,20H2,1-2H3,(H,21,23)
InChIKeyORWGFVQNVMFNSE-UHFFFAOYSA-N
XLogP2.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875833
(4-amino-5-chloro-2-methoxyphenyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867680
(4-amino-5-chloro-2-methoxyphenyl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119883779
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide (CID 119761665) is N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)c2cc(Cl)c(N)cc2OC)C1.
What is the InChIKey of N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is ORWGFVQNVMFNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-3-5-17(23)21-10-12-6-4-7-22(11-12)18(24)13-8-14(19)15(20)9-16(13)25-2/h8-9,12H,3-7,10-11,20H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide?
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 367.88 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 119761665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).