N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide

C19H36N4O2 — CID 138809805

IUPACN-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESCC(CN1CCCCC1)C(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-16(15-21-9-6-5-7-10-21)17(24)22-11-8-12-23(14-13-22)18(25)20-19(2,3)4/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyOWCSPMBGGXYDPN-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.15
Rot. Bonds3

About N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide

N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide (PubChem CID 138809805) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide
PubChem CID138809805
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC NameN-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESCC(CN1CCCCC1)C(=O)N1CCCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C19H36N4O2/c1-16(15-21-9-6-5-7-10-21)17(24)22-11-8-12-23(14-13-22)18(25)20-19(2,3)4/h16H,5-15H2,1-4H3,(H,20,25)
InChIKeyOWCSPMBGGXYDPN-UHFFFAOYSA-N
XLogP2.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72044596
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4-tert-butyl-N-[3-(2-methylbutan-2-ylamino)-3-oxopropyl]piperazine-1-carboxamide
CID 68037479
1-(4-Methyl-1,3-diazepan-1-yl)-3-piperazin-1-ylpropan-1-one
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N-butan-2-yl-4-(4-tert-butyl-7,7-dimethyl-1,4-diazepane-2-carbonyl)piperazine-1-carboxamide
CID 90760378
4-(4-tert-butyl-7,7-dimethyl-1,4-diazepane-2-carbonyl)-N-cyclopropylpiperazine-1-carboxamide
CID 144015241
4-(3-amino-2-methylpropanoyl)-N-(3-methylhexan-3-yl)piperazine-1-carboxamide
CID 169963693
1-[(3R)-1-[3-(carbamoylamino)propanoyl]piperidin-3-yl]-1-methyl-3-(2-methylpropyl)urea
CID 178585260
N-[3-[(3R)-3-[methyl(2-methylpropylcarbamoyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide
CID 178585274
1-Cyclohexyl-3-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]urea
CID 18160039
N-(tert-butylcarbamoyl)-3-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide
CID 40146141
N-(tert-butylcarbamoyl)-3-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563137

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide (CID 138809805) is N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide is CC(CN1CCCCC1)C(=O)N1CCCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is OWCSPMBGGXYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-16(15-21-9-6-5-7-10-21)17(24)22-11-8-12-23(14-13-22)18(25)20-19(2,3)4/h16H,5-15H2,1-4H3,(H,20,25).
What are the key properties of N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide?
N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methyl-3-piperidin-1-ylpropanoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138809805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).