2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate

C20H36N4O3 — CID 71154669

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCCN1CCC(N2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-2-19(24-13-15-26-16-14-24)21-20(25)27-17-12-22-10-6-18(7-11-22)23-8-4-3-5-9-23/h18H,2-17H2,1H3
InChIKeyBBUMDDZAWSTMJP-UHFFFAOYSA-N
MW380.53 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate

2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate (PubChem CID 71154669) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
PubChem CID71154669
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate
SMILESCCC(=NC(=O)OCCN1CCC(N2CCCCC2)CC1)N1CCOCC1
InChIInChI=1S/C20H36N4O3/c1-2-19(24-13-15-26-16-14-24)21-20(25)27-17-12-22-10-6-18(7-11-22)23-8-4-3-5-9-23/h18H,2-17H2,1H3
InChIKeyBBUMDDZAWSTMJP-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-pyrrolidin-1-ylpropyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154646
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
2-morpholin-4-ylethyl 1-ethylpiperidine-4-carboxylate
CID 118534909
3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228089
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
morpholin-4-yl-[(3S)-1-[1-(2-propan-2-ylsulfanylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96580595
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate (CID 71154669) is 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate is CCC(=NC(=O)OCCN1CCC(N2CCCCC2)CC1)N1CCOCC1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is BBUMDDZAWSTMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-2-19(24-13-15-26-16-14-24)21-20(25)27-17-12-22-10-6-18(7-11-22)23-8-4-3-5-9-23/h18H,2-17H2,1H3.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate?
2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 380.53 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)ethyl N-(1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 71154669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).