N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

C23H35N7O3 — CID 14879882

IUPACN-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H35N7O3/c1-3-21(31)30(20-7-5-4-6-8-20)23(19-32-2)9-11-27(12-10-23)13-14-29-25-22(24-26-29)28-15-17-33-18-16-28/h4-8H,3,9-19H2,1-2H3
InChIKeyINQRWYGNEBZEJU-UHFFFAOYSA-N
MW457.58 g/mol
LogP1.43
Rot. Bonds9

About N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide

N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14879882) has the molecular formula C23H35N7O3 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID14879882
Molecular FormulaC23H35N7O3
Molecular Weight457.58 g/mol
Exact Mass457.28
IUPAC NameN-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H35N7O3/c1-3-21(31)30(20-7-5-4-6-8-20)23(19-32-2)9-11-27(12-10-23)13-14-29-25-22(24-26-29)28-15-17-33-18-16-28/h4-8H,3,9-19H2,1-2H3
InChIKeyINQRWYGNEBZEJU-UHFFFAOYSA-N
XLogP1.43
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Alfentanil
CID 51263
[4-(N-butanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl butanoate
CID 14494501
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl acetate
CID 14494499
[4-[N-(2-methylpropanoyl)anilino]-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2-methylpropanoate
CID 14494503
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494505
ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494507
methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494509
N-[1-[2-(4,5-Dihydro-5-oxo-4-propyl-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide
CID 13676755
methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
CID 14879879
N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879880
N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879878
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-((111C)methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 451047

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide (CID 14879882) is N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is INQRWYGNEBZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7O3/c1-3-21(31)30(20-7-5-4-6-8-20)23(19-32-2)9-11-27(12-10-23)13-14-29-25-22(24-26-29)28-15-17-33-18-16-28/h4-8H,3,9-19H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide?
N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 457.58 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14879882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).