N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide

C24H27N5O3 — CID 110085663

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)c2cn3cccnc3n2)C1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C24H27N5O3/c30-22(26-14-17-6-7-21-19(12-17)5-2-11-32-21)13-18-4-1-9-28(15-18)23(31)20-16-29-10-3-8-25-24(29)27-20/h3,6-8,10,12,16,18H,1-2,4-5,9,11,13-15H2,(H,26,30)
InChIKeyCZHZFLHHTSZPNR-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.61
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 110085663) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID110085663
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)c2cn3cccnc3n2)C1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C24H27N5O3/c30-22(26-14-17-6-7-21-19(12-17)5-2-11-32-21)13-18-4-1-9-28(15-18)23(31)20-16-29-10-3-8-25-24(29)27-20/h3,6-8,10,12,16,18H,1-2,4-5,9,11,13-15H2,(H,26,30)
InChIKeyCZHZFLHHTSZPNR-UHFFFAOYSA-N
XLogP2.61
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide
CID 110075858
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 167955376
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 91839671
4-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-phenylmorpholine-2-carboxamide
CID 110246602
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 118792594
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide (CID 110085663) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide is O=C(CC1CCCN(C(=O)c2cn3cccnc3n2)C1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is CZHZFLHHTSZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-22(26-14-17-6-7-21-19(12-17)5-2-11-32-21)13-18-4-1-9-28(15-18)23(31)20-16-29-10-3-8-25-24(29)27-20/h3,6-8,10,12,16,18H,1-2,4-5,9,11,13-15H2,(H,26,30).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110085663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).