N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide

C16H24Cl2N4O — CID 119853841

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCNc1ncc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C16H24Cl2N4O/c1-11(12-3-2-4-19-9-12)7-15(23)20-5-6-21-16-14(18)8-13(17)10-22-16/h8,10-12,19H,2-7,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCARKZNTWOHMCPN-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.94
Rot. Bonds7

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119853841) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119853841
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCNc1ncc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C16H24Cl2N4O/c1-11(12-3-2-4-19-9-12)7-15(23)20-5-6-21-16-14(18)8-13(17)10-22-16/h8,10-12,19H,2-7,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCARKZNTWOHMCPN-UHFFFAOYSA-N
XLogP2.94
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
2-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902288
N-[2-(2-nitroanilino)ethyl]-3-piperidin-3-ylbutanamide
CID 119692379
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide (CID 119853841) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCNc1ncc(Cl)cc1Cl)C1CCCNC1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is CARKZNTWOHMCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N4O/c1-11(12-3-2-4-19-9-12)7-15(23)20-5-6-21-16-14(18)8-13(17)10-22-16/h8,10-12,19H,2-7,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 359.30 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119853841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).