N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide

C17H30N4O — CID 108895998

IUPACN-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H30N4O/c18-1-2-20-3-5-21(6-4-20)16(22)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12,18H2,(H,19,22)
InChIKeyFDGMYGCQHLGDEX-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.24
Rot. Bonds3

About N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide

N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide (PubChem CID 108895998) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
PubChem CID108895998
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide
SMILESNCCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H30N4O/c18-1-2-20-3-5-21(6-4-20)16(22)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12,18H2,(H,19,22)
InChIKeyFDGMYGCQHLGDEX-UHFFFAOYSA-N
XLogP1.24
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-1-[4-(2-aminoethyl)piperazin-1-yl]ethanone
CID 127110191
N-(1-adamantyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 19293511
N-(1-adamantyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293590
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
N-(1-adamantyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 46275369
N-(1-adamantyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 7126890
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
N-(1-adamantyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293596
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
N-(1-adamantyl)-3-methylpiperidine-1-carboxamide
CID 5141458
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 82508126

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide (CID 108895998) is N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide is NCCN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide?
The InChIKey is FDGMYGCQHLGDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c18-1-2-20-3-5-21(6-4-20)16(22)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12,18H2,(H,19,22).
What are the key properties of N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide?
N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(2-aminoethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108895998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).