N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

C24H32ClN5O — CID 129105290

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C24H32ClN5O/c25-22-7-4-11-26-23(22)29-15-17-30(18-16-29)24(31)27-12-8-20-9-13-28(14-10-20)19-21-5-2-1-3-6-21/h1-7,11,20H,8-10,12-19H2,(H,27,31)
InChIKeySEFJBZIUYLLEQV-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 129105290) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
PubChem CID129105290
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C24H32ClN5O/c25-22-7-4-11-26-23(22)29-15-17-30(18-16-29)24(31)27-12-8-20-9-13-28(14-10-20)19-21-5-2-1-3-6-21/h1-7,11,20H,8-10,12-19H2,(H,27,31)
InChIKeySEFJBZIUYLLEQV-UHFFFAOYSA-N
XLogP3.87
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide (CID 129105290) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is SEFJBZIUYLLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O/c25-22-7-4-11-26-23(22)29-15-17-30(18-16-29)24(31)27-12-8-20-9-13-28(14-10-20)19-21-5-2-1-3-6-21/h1-7,11,20H,8-10,12-19H2,(H,27,31).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 442.01 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 129105290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).