N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide

C23H45N5O2 — CID 172511665

IUPACN-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCN1CCC(CN2CCC(N3CCNCC3)CC2)CC1
InChIInChI=1S/C23H45N5O2/c1-23(2,3)25-22(29)19-30-17-16-26-10-4-20(5-11-26)18-27-12-6-21(7-13-27)28-14-8-24-9-15-28/h20-21,24H,4-19H2,1-3H3,(H,25,29)
InChIKeyKNJAZKKIQIWCIN-UHFFFAOYSA-N
MW423.65 g/mol
LogP1.00
Rot. Bonds8

About N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide

N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide (PubChem CID 172511665) has the molecular formula C23H45N5O2 and a molecular weight of 423.65 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide
PubChem CID172511665
Molecular FormulaC23H45N5O2
Molecular Weight423.65 g/mol
Exact Mass423.36
IUPAC NameN-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide
SMILESCC(C)(C)NC(=O)COCCN1CCC(CN2CCC(N3CCNCC3)CC2)CC1
InChIInChI=1S/C23H45N5O2/c1-23(2,3)25-22(29)19-30-17-16-26-10-4-20(5-11-26)18-27-12-6-21(7-13-27)28-14-8-24-9-15-28/h20-21,24H,4-19H2,1-3H3,(H,25,29)
InChIKeyKNJAZKKIQIWCIN-UHFFFAOYSA-N
XLogP1.00
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.65
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]acetate
CID 163378049
1-[1-(3-ethoxypropyl)piperidin-4-yl]piperazine
CID 95464281
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
N-tert-butyl-2-(piperidin-3-ylmethoxy)acetamide
CID 62341241
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide;hydrochloride
CID 120849270
N-methyl-2-[2-[5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pentoxy]ethoxy]acetamide
CID 134582620
1-[[1-(1-methylpyrrolidin-3-yl)piperidin-4-yl]methyl]piperazine
CID 167091333
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide (CID 172511665) is N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide is CC(C)(C)NC(=O)COCCN1CCC(CN2CCC(N3CCNCC3)CC2)CC1.
What is the InChIKey of N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide?
The InChIKey is KNJAZKKIQIWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O2/c1-23(2,3)25-22(29)19-30-17-16-26-10-4-20(5-11-26)18-27-12-6-21(7-13-27)28-14-8-24-9-15-28/h20-21,24H,4-19H2,1-3H3,(H,25,29).
What are the key properties of N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide?
N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide has a molecular weight of 423.65 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethoxy]acetamide is sourced from PubChem (CID 172511665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).