(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate

C19H30ClN3O3 — CID 21467241

IUPAC(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate
SMILESCCCCN1CCC(COC(=O)c2cc(Cl)c(N)nc2OCCC)CC1
InChIInChI=1S/C19H30ClN3O3/c1-3-5-8-23-9-6-14(7-10-23)13-26-19(24)15-12-16(20)17(21)22-18(15)25-11-4-2/h12,14H,3-11,13H2,1-2H3,(H2,21,22)
InChIKeyBLJPRLZKBNKTQN-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.77
Rot. Bonds9

About (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate

(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate (PubChem CID 21467241) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate
PubChem CID21467241
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate
SMILESCCCCN1CCC(COC(=O)c2cc(Cl)c(N)nc2OCCC)CC1
InChIInChI=1S/C19H30ClN3O3/c1-3-5-8-23-9-6-14(7-10-23)13-26-19(24)15-12-16(20)17(21)22-18(15)25-11-4-2/h12,14H,3-11,13H2,1-2H3,(H2,21,22)
InChIKeyBLJPRLZKBNKTQN-UHFFFAOYSA-N
XLogP3.77
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-butylpiperidin-4-yl)methyl 5-amino-6-methyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate;chloromethane;ethane
CID 142114051
(1-butylpiperidin-4-yl)methyl 2-chloro-1-methylindole-3-carboxylate
CID 54331187
(1-butylpiperidin-4-yl)methyl 2-(4-chlorobutoxy)-1H-indole-3-carboxylate
CID 10835943
[(3S,4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate;oxalic acid
CID 158720026
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
[1-(2,2-difluoroethyl)piperidin-4-yl]methyl 1-butyl-5-methylpyrazole-4-carboxylate
CID 155948587
4-amino-2-[(1-butylpiperidin-4-yl)methyl]-5-chloro-1-benzofuran-7-carboxamide
CID 70055953
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
CID 54424720
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864
4-(4-butylpiperidin-1-yl)-1-(2-chlorophenyl)butan-1-one
CID 57005847
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272

Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate?
The IUPAC name of (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate (CID 21467241) is (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate.
What is the SMILES notation for (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate?
The canonical SMILES for (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate is CCCCN1CCC(COC(=O)c2cc(Cl)c(N)nc2OCCC)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate?
The InChIKey is BLJPRLZKBNKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O3/c1-3-5-8-23-9-6-14(7-10-23)13-26-19(24)15-12-16(20)17(21)22-18(15)25-11-4-2/h12,14H,3-11,13H2,1-2H3,(H2,21,22).
What are the key properties of (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate?
(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate has a molecular weight of 383.92 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate is sourced from PubChem (CID 21467241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).