N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

C26H43N5O — CID 129105377

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCN1CCN(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C26H43N5O/c1-2-28-18-20-30(21-19-28)25-11-16-31(17-12-25)26(32)27-13-8-23-9-14-29(15-10-23)22-24-6-4-3-5-7-24/h3-7,23,25H,2,8-22H2,1H3,(H,27,32)
InChIKeyBHFCBOCMNFJFGD-UHFFFAOYSA-N
MW441.66 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 129105377) has the molecular formula C26H43N5O and a molecular weight of 441.66 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
PubChem CID129105377
Molecular FormulaC26H43N5O
Molecular Weight441.66 g/mol
Exact Mass441.35
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCCN1CCN(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C26H43N5O/c1-2-28-18-20-30(21-19-28)25-11-16-31(17-12-25)26(32)27-13-8-23-9-14-29(15-10-23)22-24-6-4-3-5-7-24/h3-7,23,25H,2,8-22H2,1H3,(H,27,32)
InChIKeyBHFCBOCMNFJFGD-UHFFFAOYSA-N
XLogP3.10
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 53.10
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-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide (CID 129105377) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is CCN1CCN(C2CCN(C(=O)NCCC3CCN(Cc4ccccc4)CC3)CC2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
The InChIKey is BHFCBOCMNFJFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O/c1-2-28-18-20-30(21-19-28)25-11-16-31(17-12-25)26(32)27-13-8-23-9-14-29(15-10-23)22-24-6-4-3-5-7-24/h3-7,23,25H,2,8-22H2,1H3,(H,27,32).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 3.10, 7 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-(4-ethylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129105377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).