N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H28Cl2N4O2 — CID 129142653

IUPACN-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1Cc2cnccc2N1
InChIInChI=1S/C24H28Cl2N4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22/h4,8,11-12,14-16,22,29H,1-3,5-7,9-10,13H2,(H,28,31)
InChIKeySAEKQMFHHIYUIM-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.56
Rot. Bonds7

About N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 129142653) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID129142653
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC NameN-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1Cc2cnccc2N1
InChIInChI=1S/C24H28Cl2N4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22/h4,8,11-12,14-16,22,29H,1-3,5-7,9-10,13H2,(H,28,31)
InChIKeySAEKQMFHHIYUIM-UHFFFAOYSA-N
XLogP4.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163599313
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
1-[(4-chlorophenyl)methyl]-3-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]butyl]urea
CID 166835094
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3,5-dichlorophenyl)methanone
CID 114801176
N-[3-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]propyl]-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide
CID 139919074
N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;hydrochloride
CID 146159435
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 68649734
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
1-pyridin-4-yl-3-[5-[1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]pentyl]urea
CID 168813877
methyl 3-amino-5-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoate
CID 134458747

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 129142653) is N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)C1Cc2cnccc2N1.
What is the InChIKey of N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is SAEKQMFHHIYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22/h4,8,11-12,14-16,22,29H,1-3,5-7,9-10,13H2,(H,28,31).
What are the key properties of N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 129142653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).